In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 32 | Yes |
Popular Name: 1-[4-[(3R,6S)-1-benzyl-6-(4-ethylphenyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone 1-[4-[(3R,6S)-1-benzyl-6-(4-ethy…
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) | 3.61 | 14.06 | -44.09 | 1 | 5 | 1 | 45 | 434.604 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 12.12 | -11.66 | 0 | 5 | 0 | 44 | 433.596 | 5 | ↓ |