In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2010 | 29 | Yes |
Popular Name: 4-fluoro-N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]benzamide 4-fluoro-N-[3-[4-[(4-fluoropheny…
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) | 2.64 | 10.66 | -60.06 | 2 | 5 | 1 | 54 | 402.465 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 8.83 | -19.38 | 1 | 5 | 0 | 53 | 401.457 | 6 | ↓ |