In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2010 | 16 | No |
Popular Name: 4-(1-methylcyclohexyl)-5-propyl-1,2,4-triazole-3-thiol 4-(1-methylcyclohexyl)-5-propyl-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.69 | 7.65 | -47.44 | 0 | 3 | -1 | 31 | 238.38 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.98 | -10.18 | 1 | 3 | 0 | 34 | 239.388 | 3 | ↓ |