| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 18 | No |
Popular Name: 1,4-Diamino-2,3-dihydroanthraquinone 1,4-Diamino-2,3-dihydroanthraqui…
1,4-diaminoanthracene-9,10-diol
1,4-Diaminoanthraquinone (leuco compound)
| 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) | 0.90 | 3.98 | -13.42 | 4 | 4 | 0 | 86 | 240.262 | 0 | ↓ |
| Ref Reference (pH 7) | 2.59 | 0.36 | -6.92 | 6 | 4 | 0 | 93 | 240.262 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 1.65 | -41.73 | 3 | 4 | -1 | 91 | 239.254 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 1.32 | -46.34 | 3 | 4 | -1 | 91 | 239.254 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 0.32 | -31.32 | 7 | 4 | 0 | 94 | 241.27 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 0.87 | -7.11 | 4 | 4 | 0 | 88 | 240.262 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.