| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide (2S)-2-(cyclopropylamino)-4-[(4-…
| 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) | 0.09 | 2.51 | -49.88 | 5 | 7 | 1 | 110 | 298.392 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 1.53 | -15.9 | 4 | 7 | 0 | 106 | 297.384 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-cyclopropyl-3-[3-(cyclopropylamino)propylthio]-1H-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/101101.gif)