| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (1S,2S,4R)-4-tert-butyl-2-[2-dimethylaminoethyl(propyl)amino]cyclohexanecarbonitrile (1S,2S,4R)-4-tert-butyl-2-[2-dim…
| 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) | 4.14 | 9.65 | -46.16 | 1 | 3 | 1 | 31 | 294.507 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 7.17 | -4.17 | 0 | 3 | 0 | 30 | 293.499 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | 11.09 | -131.21 | 2 | 3 | 2 | 33 | 295.515 | 7 | ↓ |
