| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 21 | No |
Popular Name: 1-(3-fluorophenyl)-3-(3-oxo-1H-isobenzofuran-5-yl)thiourea 1-(3-fluorophenyl)-3-(3-oxo-1H-i…
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) | 2.14 | 8.22 | -14.62 | 2 | 4 | 0 | 50 | 302.33 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50609-1-O | Simian Immunodeficiency Virus (cluster #1 Of 2), Other | Other | 6300 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50609 | Z50609 | Simian Immunodeficiency Virus | 6300 | 0.35 | Functional ≤ 10μM |
