| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | No |
Popular Name: 4-[(1S)-1,4-dimethylpentyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-1,4-dimethylpentyl]-5-(2…
| 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) | 3.43 | 9.58 | -48.65 | 0 | 4 | -1 | 44 | 275.401 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 9.78 | -10.21 | 1 | 4 | 0 | 47 | 276.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
