| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | No |
Popular Name: 4-(3-chlorophenyl)-2-[[methyl(propyl)amino]methyl]-1,2,4-triazole-3-thione 4-(3-chlorophenyl)-2-[[methyl(pr…
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| 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) | 2.55 | 12.91 | -39.27 | 1 | 4 | 1 | 27 | 297.835 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 10.43 | -10.94 | 0 | 4 | 0 | 26 | 296.827 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
