| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 4-[(1R)-1-cyclopentylethyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R)-1-cyclopentylethyl]-5-is…
| 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) | 2.74 | 8.87 | -10.08 | 1 | 3 | 0 | 34 | 239.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 8.9 | -46.88 | 0 | 3 | -1 | 31 | 238.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
