In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1S,2R,4S)-N,4-dimethyl-2-[4-(1-piperidyl)-1-piperidyl]cyclohexanamine (1S,2R,4S)-N,4-dimethyl-2-[4-(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) | 2.85 | 9.03 | -88.02 | 3 | 3 | 2 | 24 | 295.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 8.49 | -114.17 | 3 | 3 | 2 | 24 | 295.515 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 10.68 | -203.65 | 4 | 3 | 3 | 25 | 296.523 | 3 | ↓ |