In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 23 | Yes |
Popular Name: 3-[[4-[(4-methyl-1-piperidyl)methyl]-1-piperidyl]methyl]benzonitrile 3-[[4-[(4-methyl-1-piperidyl)met…
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) | 3.42 | 13.08 | -108.75 | 2 | 3 | 2 | 33 | 313.489 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 10.84 | -38.89 | 1 | 3 | 1 | 31 | 312.481 | 4 | ↓ |