In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 21 | Yes |
Popular Name: 2-[[4-[(3R,5S)-3,5-dimethyl-1-piperidyl]-1-piperidyl]methyl]pyridine 2-[[4-[(3R,5S)-3,5-dimethyl-1-pi…
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) | 2.62 | 8.22 | -34.25 | 1 | 3 | 1 | 21 | 288.459 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 8.95 | -79.14 | 2 | 3 | 2 | 22 | 289.467 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 10.59 | -190.44 | 3 | 3 | 3 | 23 | 290.475 | 3 | ↓ |