| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 31 | Yes |
Popular Name: fluoro-methyl-oxo-[4-(2-pyridyl)piperazin-1-yl]BLAHcarboxylic fluoro-methyl-oxo-[4-(2-pyridyl)…
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) | 0.54 | 8.42 | -89.77 | 1 | 8 | 0 | 92 | 424.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 8.13 | -65.95 | 0 | 8 | -1 | 91 | 423.424 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 3700 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 3700 | 0.25 | Functional ≤ 10μM |
