| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 15 | No |
Popular Name: 4-amino-5-[(3-chlorophenyl)methyl]-1,2,4-triazole-3-thiol 4-amino-5-[(3-chlorophenyl)methy…
| 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) | 1.55 | 6.44 | -11.91 | 3 | 4 | 0 | 60 | 240.719 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6.32 | -40.41 | 2 | 4 | -1 | 57 | 239.711 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
