(kcal/mol) |
(kcal/mol, K) |
(kcal/mol) | |
BTH | −317.92761 | −0.361897 | −210.02802 |
2-SH_BTH | −344.03968 | −0.388649 | −228.16398 |
2-NH2_BTH | −386.23561 | −0.417862 | −261.65005 |
2-OH_BTH | −424.13036 | −0.390906 | −307.58173 |
2-SCH3_BTH | −388.92431 | −0.467916 | −249.41516 |