| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 16 | Yes |
Popular Name: (3R)-3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanenitrile (3R)-3-phenyl-3-(1H-1,2,4-triazo…
| 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) | 1.35 | 7.58 | -10.52 | 1 | 4 | 0 | 65 | 230.296 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 7.37 | -42.67 | 0 | 4 | -1 | 64 | 229.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
