In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: (2R)-2-(3,5-dimethylphenyl)-2-(4-methyl-1-piperidyl)ethanamine (2R)-2-(3,5-dimethylphenyl)-2-(4…
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) | 2.70 | 8.15 | -118.87 | 4 | 2 | 2 | 32 | 248.414 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 7.79 | -32 | 3 | 2 | 1 | 30 | 247.406 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 6.27 | -42.54 | 3 | 2 | 1 | 31 | 247.406 | 3 | ↓ |