| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 23 | No |
Popular Name: (3S)-N-(2-chloro-4-nitro-phenyl)-1-(2-cyanoethyl)piperidine-3-carboxamide (3S)-N-(2-chloro-4-nitro-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) | 1.94 | 9.02 | -60.7 | 2 | 7 | 1 | 103 | 337.787 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.78 | -12.44 | 1 | 7 | 0 | 102 | 336.779 | 5 | ↓ |
