| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 19 | Yes |
Popular Name: (2R)-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)butanenitrile (2R)-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) | 1.09 | 5.04 | -11.96 | 2 | 6 | 0 | 87 | 281.385 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 6.06 | -59.71 | 3 | 6 | 1 | 91 | 282.393 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
