| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 20 | No |
Popular Name: 5-(2-chlorophenyl)-4-methyl-2-[[methyl(propyl)amino]methyl]-1,2,4-triazole-3-thione 5-(2-chlorophenyl)-4-methyl-2-[[…
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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) | 3.15 | 12.16 | -35.76 | 1 | 4 | 1 | 27 | 311.862 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 9.68 | -12.43 | 0 | 4 | 0 | 26 | 310.854 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
