In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 20 | Yes |
Popular Name: 3-[(3R)-3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-piperidyl]propanenitrile 3-[(3R)-3-[(3R,5R)-3,5-dimethylp…
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) | 1.55 | 9.24 | -54.54 | 1 | 4 | 1 | 49 | 278.42 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.55 | 7 | -12.28 | 0 | 4 | 0 | 47 | 277.412 | 3 | ↓ |