| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 4-cyclopropyl-5-[(3S)-3-ethyl-1-piperidyl]-1,2,4-triazole-3-thiol 4-cyclopropyl-5-[(3S)-3-ethyl-1-…
| 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) | 1.89 | 9.84 | -8.75 | 1 | 4 | 0 | 37 | 252.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 10.31 | -47.33 | 0 | 4 | -1 | 34 | 251.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 10.15 | -39.74 | 1 | 4 | 0 | 35 | 252.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
