| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 27 | Yes |
5-( amino-8-hydroxy-6H-imidazo acridin-6-one
5-((3-Diethylamino)propyl)amino-8-hydroxy-6H-imidazo(4,5,1-de)acridin-6-one; CCRIS 7540; LS-189188
6H-Imidazo[4,5,1-de]acridin-6-one,5-[[3-(diethylamino)propyl]amino]-8-hydroxy-
| 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) | 3.68 | 8.14 | -95.48 | 4 | 6 | 2 | 76 | 366.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 8.59 | -158.33 | 5 | 6 | 3 | 77 | 367.473 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 597 | 0.32 | Binding ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 180 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 597 | 0.32 | Binding ≤ 1μM |
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 597 | 0.32 | Binding ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 180 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.