In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2009 | 24 | Yes |
Popular Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-1,3-benzothiazole 2-[4-[(2-chloro-4-fluoro-phenyl)…
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) | 4.66 | 8.28 | -8.68 | 0 | 3 | 0 | 19 | 361.873 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.66 | 10.61 | -46.3 | 1 | 3 | 1 | 21 | 362.881 | 3 | ↓ |