| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3S)-3-[[(3R)-2-oxo-3-piperidyl]amino]-3-phenyl-propanenitrile (3S)-3-[[(3R)-2-oxo-3-piperidyl]…
| 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) | -0.27 | 3.62 | -9.21 | 2 | 4 | 0 | 65 | 243.31 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.27 | 4.66 | -43.7 | 3 | 4 | 1 | 69 | 244.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
