In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2005 | 28 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[1-(4-pyridylmethyl)-4-piperidyl]-methanone (4-benzylpiperazin-1-yl)-[1-(4-p…
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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) | 1.87 | 0.44 | -108.12 | 2 | 5 | 2 | 42 | 380.536 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 0.56 | -173.58 | 3 | 5 | 3 | 43 | 381.544 | 5 | ↓ |