| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 20 | No |
Popular Name: 2-[(3-fluorophenyl)methyl]-6,7-dihydroxy-isoindolin-1-one 2-[(3-fluorophenyl)methyl]-6,7-d…
| 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) | 1.74 | 3.57 | -20.38 | 2 | 4 | 0 | 61 | 273.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.48 | -67.74 | 1 | 4 | -1 | 64 | 272.255 | 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 | 1060 | 0.42 | Functional ≤ 10μM |
| Z80980-1-O | HOS (Osteosarcoma Cells) (cluster #1 Of 1), Other | Other | 8600 | 0.35 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1060 | 0.42 | Functional ≤ 10μM |
| Z80980 | Z80980 | HOS (Osteosarcoma Cells) | 8600 | 0.35 | ADME/T ≤ 10μM |
