| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2008 | 14 | No |
Popular Name: 5,8-Dihydroxynaphthalene-1,4(4aH,8aH)-dione 5,8-Dihydroxynaphthalene-1,4(4aH…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 475-38-7 , 887574-80-3 , [887574-80-3]
475-38-7; 5,8-Dihydroxy-1,4-naphthoquinone; C01938; Naphthazarin
4a,8a-dihydro-5,8-dihydroxy-1,4naphthalenedione
| 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) | 0.00 | 2.34 | -10 | 2 | 4 | 0 | 75 | 192.17 | 0 | ↓ |
| Ref Reference (pH 7) | 0.00 | -0.56 | -9.84 | 2 | 4 | 0 | 75 | 192.17 | 0 | ↓ |
| Ref Reference (pH 7) | 0.00 | 2.34 | -10.01 | 2 | 4 | 0 | 75 | 192.17 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 4.29 | -108.72 | 0 | 4 | -2 | 80 | 190.154 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.29 | -50.36 | 1 | 4 | -1 | 77 | 191.162 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 0.19 | -44.72 | 1 | 4 | -1 | 77 | 191.162 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 0.18 | -50.4 | 1 | 4 | -1 | 77 | 191.162 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.29 | -50.38 | 1 | 4 | -1 | 77 | 191.162 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.17 | -46.67 | 1 | 4 | -1 | 77 | 191.162 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 97 - 99 | MolMall (formerly Molecular Diversity Preservation International) |
