In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 24 | Yes |
Popular Name: 3-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)propan-1-one 3-(4-benzylpiperazin-1-yl)-1-(4-…
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) | 3.86 | 10.51 | -44.91 | 1 | 3 | 1 | 25 | 388.329 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 10.49 | -47.51 | 1 | 3 | 1 | 25 | 388.329 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 8.13 | -7.58 | 0 | 3 | 0 | 24 | 387.321 | 6 | ↓ |