| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | No |
Popular Name: 4-[(1S)-1-cyclopentylethyl]-3-sulfanyl-1H-1,2,4-triazol-5-one 4-[(1S)-1-cyclopentylethyl]-3-su…
| 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) | 1.24 | 5.47 | -8.8 | 2 | 4 | 0 | 54 | 213.306 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.22 | -33.75 | 1 | 4 | -1 | 51 | 212.298 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
