| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[2-dimethylaminoethyl(isobutyl)amino]cyclohexanecarbonitrile (1S,2R)-2-[2-dimethylaminoethyl(…
| 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) | 3.05 | 7.84 | -30.8 | 1 | 3 | 1 | 31 | 252.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 4.53 | -5.85 | 0 | 3 | 0 | 30 | 251.418 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 9.11 | -111.08 | 2 | 3 | 2 | 33 | 253.434 | 6 | ↓ |
