| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 23 | Yes |
Popular Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methyl-2-thienyl)methanone [4-[(4-fluorophenyl)methyl]-1,4-…
| 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) | 3.38 | 10.49 | -51.87 | 1 | 3 | 1 | 25 | 333.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 8.6 | -8.82 | 0 | 3 | 0 | 24 | 332.444 | 3 | ↓ |
