| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2012 | 17 | Yes |
Popular Name: 4-cyclopropyl-3-[(2S)-2-(propylamino)propyl]sulfanyl-1H-1,2,4-triazol-5-one 4-cyclopropyl-3-[(2S)-2-(propyla…
| 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) | 1.38 | 5.63 | -47.81 | 3 | 5 | 1 | 67 | 257.383 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 4.51 | -7.3 | 2 | 5 | 0 | 63 | 256.375 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.