| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 24 | Yes |
Popular Name: 1-[(R)-(2-ethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane 1-[(R)-(2-ethoxyphenyl)-(3-fluor…
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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) | 3.61 | 9.17 | -30.6 | 2 | 3 | 1 | 26 | 329.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 9.05 | -43.9 | 2 | 3 | 1 | 29 | 329.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 7.81 | -4.53 | 1 | 3 | 0 | 24 | 328.431 | 5 | ↓ |
