| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 22 | Yes |
Popular Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[4-(hydroxymethyl)-1-piperidyl]propanamide (2S)-N-(3-chloro-4-cyano-phenyl)…
| 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) | 1.98 | 5.29 | -47.84 | 3 | 5 | 1 | 78 | 322.816 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 3.63 | -27.8 | 2 | 5 | 0 | 84 | 321.808 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
