In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-chlorophenyl)-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]butan-2-amine (1S,2S)-1-(4-chlorophenyl)-1-[(3…
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) | 3.97 | 9.31 | -121.22 | 4 | 2 | 2 | 32 | 296.886 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 8.98 | -32.86 | 3 | 2 | 1 | 30 | 295.878 | 4 | ↓ |