| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
| 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) | -0.67 | -6.29 | -12.12 | 3 | 6 | 0 | 90 | 227.195 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547-1-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral | Viruses | 180 | 0.59 | Binding ≤ 10μM |
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 8 | 0.71 | Functional ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 34 | 0.65 | Functional ≤ 10μM |
| Z50677-1-O | Human Immunodeficiency Virus (cluster #1 Of 3), Other | Other | 200 | 0.59 | Functional ≤ 10μM |
| Z80294-1-O | MT2 (Lymphocytes) (cluster #1 Of 1), Other | Other | 9000 | 0.44 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 7), Other | Other | 9400 | 0.44 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 6500 | 0.45 | Functional ≤ 10μM |
| Z81020-1-O | HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other | Other | 17 | 0.68 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 140 | 0.60 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 140 | 0.60 | Binding ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 460 | 0.55 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 8 | 0.71 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 17 | 0.68 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 100 | 0.61 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 34 | 0.65 | Functional ≤ 10μM |
| Z80294 | Z80294 | MT2 (Lymphocytes) | 9000 | 0.44 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 9400 | 0.44 | Functional ≤ 10μM |
