In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2009 | 26 | Yes |
Popular Name: [1-(4-bromobenzoyl)-4-piperidyl]-(4-isopropylpiperazin-1-yl)methanone [1-(4-bromobenzoyl)-4-piperidyl]…
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) | 2.40 | 7.73 | -13.77 | 0 | 5 | 0 | 44 | 422.367 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 9.94 | -52.19 | 1 | 5 | 1 | 45 | 423.375 | 3 | ↓ |