In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 18 | Yes |
Popular Name: (2R)-2-(3-chlorophenyl)-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]ethanamine (2R)-2-(3-chlorophenyl)-2-[(3R,5…
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) | 3.01 | 7.9 | -122.28 | 4 | 2 | 2 | 32 | 268.832 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 5.97 | -44.87 | 3 | 2 | 1 | 31 | 267.824 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 7.51 | -34.1 | 3 | 2 | 1 | 30 | 267.824 | 3 | ↓ |