| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 11 | Yes |
41729-52-6; D03754; Dezaguanine (USAN/INN)
4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-1,5-dihydro- (9CI)
4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-3,5-dihydro-
87434-82-0; D03755; Dezaguanine mesylate (USAN)
| 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) | -0.39 | -0.22 | -24.01 | 4 | 5 | 0 | 88 | 150.141 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | -2.54 | -39.71 | 5 | 5 | 1 | 89 | 151.149 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 0.18 | -38.94 | 5 | 5 | 1 | 89 | 151.149 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80285-3-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #3 Of 4), Other | Other | 5900 | 0.67 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 3700 | 0.69 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.