| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 16 | Yes |
Popular Name: Ethanone, 1,1-(5-ethyl-4,6-dihydroxy-1,3-phenylene)bis- (9CI) Ethanone, 1,1-(5-ethyl-4,6-dihyd…
Find On: PubMed — Wikipedia — Google
CAS Number: 693782-42-2
| 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) | 2.00 | 4.98 | -51.2 | 1 | 4 | -1 | 77 | 221.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 5.99 | -127.59 | 0 | 4 | -2 | 80 | 220.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 3.99 | -12.96 | 2 | 4 | 0 | 75 | 222.24 | 3 | ↓ |
