| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 19 | No |
Popular Name: 1-[4-(3-oxobutanoyl)-1,4-diazepan-1-yl]butane-1,3-dione 1-[4-(3-oxobutanoyl)-1,4-diazepa…
| 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) | -1.22 | 8.39 | -37.75 | 0 | 6 | 0 | 75 | 268.313 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 7.28 | -65.3 | 0 | 6 | -1 | 81 | 267.305 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.21 | 7.3 | -64.28 | 0 | 6 | -1 | 81 | 267.305 | 4 | ↓ |
