In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 34 | Yes |
Popular Name: (4-benzylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiazol-4-yl]methanone (4-benzylpiperazin-1-yl)-[2-[[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) | 3.12 | 9.33 | -11.88 | 0 | 6 | 0 | 43 | 479.625 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 11.58 | -60.41 | 1 | 6 | 1 | 44 | 480.633 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 11.53 | -44.82 | 1 | 6 | 1 | 44 | 480.633 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 13.78 | -115.04 | 2 | 6 | 2 | 45 | 481.641 | 6 | ↓ |