| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: 4-[(1R)-1-cyclopentylethyl]-5-ethyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclopentylethyl]-5-et…
| 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) | 2.25 | 8.64 | -10.97 | 1 | 3 | 0 | 34 | 225.361 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 8.47 | -46.7 | 0 | 3 | -1 | 31 | 224.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
