In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 20 | No |
Popular Name: 4-[(3-chlorophenyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(3-chlorophenyl)methyl]-5-(3-…
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) | 3.47 | 9.18 | -42.71 | 0 | 4 | -1 | 44 | 301.782 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 8.66 | -9.59 | 1 | 4 | 0 | 47 | 302.79 | 3 | ↓ |