In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 17 | Yes |
Popular Name: [1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4-methyl-cyclohexyl]methanamine [1-[(3R,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) | 2.52 | 7.08 | -117.78 | 4 | 2 | 2 | 32 | 240.435 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 5.55 | -42.18 | 3 | 2 | 1 | 31 | 239.427 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 6.74 | -27.48 | 3 | 2 | 1 | 30 | 239.427 | 2 | ↓ |