| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 20 | Yes |
Popular Name: (2S)-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)butanoic (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) | -0.90 | 6.4 | -38.47 | 3 | 7 | 0 | 107 | 300.384 | 9 | ↓ |
| Hi High (pH 8-9.5) | -0.90 | 5.37 | -47.83 | 2 | 7 | -1 | 103 | 299.376 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
