In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 21 | Yes |
Popular Name: [1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4-(1,1-dimethylpropyl)cyclohexyl]methanamine [1-[(3S,5R)-3,5-dimethyl-1-piper…
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) | 4.18 | 9.11 | -128.77 | 4 | 2 | 2 | 32 | 296.543 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.26 | -45.39 | 3 | 2 | 1 | 31 | 295.535 | 4 | ↓ |