In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 21 | Yes |
Popular Name: (1S,2R,4R)-4-(1,1-dimethylpropyl)-2-[methyl-(1-methyl-4-piperidyl)amino]cyclohexanol (1S,2R,4R)-4-(1,1-dimethylpropyl…
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) | 3.19 | 5.5 | -31.31 | 2 | 3 | 1 | 28 | 297.507 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 5.69 | -34.85 | 2 | 3 | 1 | 28 | 297.507 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 7.91 | -98.93 | 3 | 3 | 2 | 29 | 298.515 | 4 | ↓ |