| 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-(isopropylamino)butanamide (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) | 0.40 | 2.37 | -48.72 | 5 | 7 | 1 | 110 | 300.408 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.41 | -15.32 | 4 | 7 | 0 | 106 | 299.4 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
