In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 29 | Yes |
Popular Name: [4-[(4-benzylpiperazin-1-yl)methyl]-1-piperidyl]-(p-tolyl)methanone [4-[(4-benzylpiperazin-1-yl)meth…
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) | 3.45 | 12.04 | -47.12 | 1 | 4 | 1 | 28 | 392.567 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 10.15 | -9.23 | 0 | 4 | 0 | 27 | 391.559 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 12.4 | -46.35 | 1 | 4 | 1 | 28 | 392.567 | 5 | ↓ |