| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2012 | 17 | Yes |
Popular Name: 4-cyclopropyl-3-[(1R,2R)-2-(methylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one 4-cyclopropyl-3-[(1R,2R)-2-(meth…
| 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) | 1.05 | 5.24 | -49.02 | 3 | 5 | 1 | 67 | 255.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.01 | -6.97 | 2 | 5 | 0 | 63 | 254.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.