| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 18 | Yes |
Popular Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepan-5-one 4-[(5-fluoro-2-methoxy-phenyl)me…
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| 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) | 0.78 | 4.84 | -54.04 | 2 | 4 | 1 | 46 | 253.297 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 3.55 | -10.62 | 1 | 4 | 0 | 42 | 252.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
