| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 17 | Yes |
Popular Name: (3R)-3-(3-oxopiperazin-1-yl)-3-phenyl-propanenitrile (3R)-3-(3-oxopiperazin-1-yl)-3-p…
| 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) | 0.85 | 2.81 | -13.77 | 1 | 4 | 0 | 56 | 229.283 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 5.02 | -48.05 | 2 | 4 | 1 | 57 | 230.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
