| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2011 | 18 | Yes |
Popular Name: 1-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]-1,4-diazepan-5-one 1-[(2R)-2-(2-fluorophenyl)-2-hyd…
| 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) | 0.51 | 2.9 | -47.8 | 3 | 4 | 1 | 54 | 253.297 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 0.85 | -10.37 | 2 | 4 | 0 | 53 | 252.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
