| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 16 | Yes |
Popular Name: (2S)-2-amino-4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanenitrile (2S)-2-amino-4-[(4-cyclopropyl-5…
| 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) | -0.69 | 2.42 | -13.58 | 3 | 6 | 0 | 101 | 239.304 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.69 | 2.75 | -66.54 | 4 | 6 | 1 | 102 | 240.312 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
