| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 26 | No |
Popular Name: 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE 2-(3-BROMOPHENYL)-6-[(2-HYDROXYE…
| 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) | 3.51 | -3.53 | -16.49 | 2 | 5 | 0 | 71 | 411.255 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.14e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 2), Other | Other | 20 | 0.41 | Binding ≤ 10μM |
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 5), Other | Other | 7100 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50643 | Z50643 | Hepatitis C Virus | 20 | 0.41 | Binding ≤ 1μM |
| Z50643 | Z50643 | Hepatitis C Virus | 20 | 0.41 | Binding ≤ 10μM |
| Z50643 | Z50643 | Hepatitis C Virus | 4600 | 0.29 | Functional ≤ 10μM |
