In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 35 | Yes |
Popular Name: 1-[4-[4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[6-[(3S)-3-phenylpiperaz…
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) | 2.83 | 12.21 | -56.53 | 2 | 7 | 1 | 73 | 470.597 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 11.11 | -14.99 | 1 | 7 | 0 | 69 | 469.589 | 5 | ↓ |