| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2011 | 22 | Yes |
Popular Name: (3R)-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-piperidyl]butanenitrile (3R)-3-[4-(3-phenyl-1H-1,2,4-tri…
| 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) | 1.80 | 9.4 | -46.33 | 2 | 5 | 1 | 70 | 296.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 7.49 | -13.3 | 1 | 5 | 0 | 69 | 295.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 7.37 | -13.79 | 1 | 5 | 0 | 69 | 295.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 9.52 | -52.95 | 2 | 5 | 1 | 70 | 296.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
