| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 17 | Yes |
Popular Name: (2S)-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)butanenitrile (2S)-4-[(4-cyclopropyl-5-oxo-1H-…
| 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) | 0.22 | 3.23 | -13.48 | 2 | 6 | 0 | 87 | 253.331 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.22 | 4.47 | -60.1 | 3 | 6 | 1 | 91 | 254.339 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
