In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 20 | Yes |
Popular Name: N-[(1S)-1-(3,4-dimethylphenyl)-2-(1-piperidyl)ethyl]propan-1-amine N-[(1S)-1-(3,4-dimethylphenyl)-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) | 4.32 | 9.8 | -29.6 | 2 | 2 | 1 | 16 | 275.46 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 11.25 | -119.61 | 3 | 2 | 2 | 21 | 276.468 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 9.48 | -33.42 | 2 | 2 | 1 | 20 | 275.46 | 6 | ↓ |