| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | No |
Popular Name: 4-[(1S)-1,4-dimethylpentyl]-5-phenyl-1,2,4-triazole-3-thiol 4-[(1S)-1,4-dimethylpentyl]-5-ph…
| 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) | 3.85 | 10.7 | -9.09 | 1 | 3 | 0 | 34 | 275.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 10.54 | -47.29 | 0 | 3 | -1 | 31 | 274.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
