| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 20 | Yes |
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) | 4.08 | 7.04 | -12.86 | 1 | 3 | 0 | 42 | 271.36 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 380 | 0.45 | Functional ≤ 10μM |
| Z80295-6-O | MT4 (Lymphocytes) (cluster #6 Of 8), Other | Other | 3900 | 0.38 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 630 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1220 | 0.41 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 350 | 0.45 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 380 | 0.45 | Functional ≤ 10μM |
