In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 24 | Yes |
Popular Name: 2-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide 2-[4-[2-(3-fluorophenyl)acetyl]-…
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) | 2.05 | 8.58 | -47.54 | 2 | 5 | 1 | 54 | 336.431 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 6.83 | -16.11 | 1 | 5 | 0 | 53 | 335.423 | 5 | ↓ |