In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 27 | Yes |
Popular Name: 1-[(3S,5S)-4-benzyl-3,5-dimethyl-piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one 1-[(3S,5S)-4-benzyl-3,5-dimethyl…
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) | 4.85 | 12.14 | -7.36 | 0 | 3 | 0 | 24 | 364.533 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.85 | 14.1 | -40.62 | 1 | 3 | 1 | 25 | 365.541 | 6 | ↓ |