In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 22 | Yes |
Popular Name: (2R)-2-(2-butoxyphenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanamine (2R)-2-(2-butoxyphenyl)-2-[(3S,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) | 3.80 | 9.31 | -119.51 | 4 | 3 | 2 | 41 | 306.494 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 9.21 | -27.35 | 3 | 3 | 1 | 40 | 305.486 | 7 | ↓ |