In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 16 | Yes |
Popular Name: [(1S,3S)-3-methyl-1-(4-methyl-1-piperidyl)cyclohexyl]methanamine [(1S,3S)-3-methyl-1-(4-methyl-1-…
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) | 2.28 | 6.96 | -116.85 | 4 | 2 | 2 | 32 | 226.408 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 5.39 | -43.91 | 3 | 2 | 1 | 31 | 225.4 | 2 | ↓ |