In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2009 | 20 | Yes |
Popular Name: 3-[[methyl-[2-[(2R)-1-methyl-2-piperidyl]ethyl]amino]methyl]benzonitrile 3-[[methyl-[2-[(2R)-1-methyl-2-p…
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) | 2.67 | 8.73 | -37.52 | 1 | 3 | 1 | 31 | 272.416 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 8.91 | -48.29 | 1 | 3 | 1 | 31 | 272.416 | 5 | ↓ |