In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 29 | Yes |
Popular Name: (2R,4S,5S)-4-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5S)-4-benzyl-N-[2-(3,4-di…
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) | 4.65 | 11.22 | -113.61 | 3 | 4 | 2 | 40 | 398.591 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 9.28 | -45.87 | 2 | 4 | 1 | 38 | 397.583 | 8 | ↓ |