In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 27 | Yes |
Popular Name: 2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-N-methyl-N-(2-thienylmethyl)acetamide 2-[4-(5-chloro-2-fluoro-benzoyl)…
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) | 2.21 | 8.11 | -13.27 | 0 | 5 | 0 | 44 | 409.914 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 10.26 | -47.38 | 1 | 5 | 1 | 45 | 410.922 | 5 | ↓ |