| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 28 | No |
Popular Name: 1-[4-[2-[4-(3-oxobutanoyl)phenoxy]ethoxy]phenyl]butane-1,3-dione 1-[4-[2-[4-(3-oxobutanoyl)phenox…
| 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) | 2.35 | 13.01 | -36.58 | 0 | 6 | 0 | 87 | 382.412 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 12.95 | -64.68 | 0 | 6 | -1 | 93 | 381.404 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 12.91 | -64.71 | 0 | 6 | -1 | 93 | 381.404 | 10 | ↓ |
