In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | Yes |
Popular Name: (2S)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methyl-1-piperidyl]ethanamine (2S)-2-(2,3-dimethoxyphenyl)-2-[…
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) | 1.70 | 6.19 | -122.83 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 4.39 | -45.78 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 5.87 | -33.49 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |