In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 20 | Yes |
Popular Name: (2S)-N-(4-cyanophenyl)-2-[(2S)-2-methyl-1-piperidyl]propanamide (2S)-N-(4-cyanophenyl)-2-[(2S)-2…
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) | 2.47 | 8.04 | -41.62 | 2 | 4 | 1 | 57 | 272.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 5.98 | -12.11 | 1 | 4 | 0 | 56 | 271.364 | 3 | ↓ |