| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 21 | No |
Popular Name: 2-[(3,4-difluorophenyl)methyl]-6,7-dihydroxy-isoindolin-1-one 2-[(3,4-difluorophenyl)methyl]-6…
None
| 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) | 1.85 | 3.62 | -21.65 | 2 | 4 | 0 | 61 | 291.253 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 4.53 | -67.41 | 1 | 4 | -1 | 64 | 290.245 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 1080 | 0.40 | Functional ≤ 10μM |
| Z80980-1-O | HOS (Osteosarcoma Cells) (cluster #1 Of 1), Other | Other | 9010 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1080 | 0.40 | Functional ≤ 10μM |
| Z80980 | Z80980 | HOS (Osteosarcoma Cells) | 9010 | 0.34 | ADME/T ≤ 10μM |
