In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2009 | 28 | Yes |
Popular Name: N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]benzamide N-[3-[4-[(4-fluorophenyl)methyl]…
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) | 2.48 | 10.58 | -59.94 | 2 | 5 | 1 | 54 | 384.475 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 8.7 | -20.03 | 1 | 5 | 0 | 53 | 383.467 | 6 | ↓ |