In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2010 | 21 | Yes |
Popular Name: 3-[[methyl-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]amino]methyl]benzonitrile 3-[[methyl-[2-[(2S)-2-methyl-1-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) | 2.06 | 9.73 | -50.26 | 1 | 4 | 1 | 49 | 286.399 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 7.46 | -10.51 | 0 | 4 | 0 | 47 | 285.391 | 4 | ↓ |