| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 20 | Yes |
Popular Name: 2-(4-Chlorophenyl)-5,7-dihydroxy-4H-chromen-4-one 2-(4-Chlorophenyl)-5,7-dihydroxy…
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CAS Number: 152969-69-2
| 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) | 3.62 | 4.43 | -17.51 | 2 | 4 | 0 | 71 | 288.686 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.44 | -61.24 | 1 | 4 | -1 | 73 | 287.678 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 5.22 | -45.42 | 1 | 4 | -1 | 73 | 287.678 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 4000 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.