| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 4-[(4-chlorophenyl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol 4-[(4-chlorophenyl)methyl]-5-(4-…
| 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) | 3.27 | 9.22 | -42.42 | 0 | 4 | -1 | 44 | 301.782 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 8.91 | -10.43 | 1 | 4 | 0 | 47 | 302.79 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
