| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 22 | 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) | -2.21 | -4.55 | -20.59 | 6 | 9 | 0 | 150 | 311.273 | 3 | ↓ |
| 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 | 20 | 0.49 | Binding ≤ 10μM |
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 30 | 0.48 | Functional ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 3 | 0.54 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 25 | 0.48 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 470 | 0.40 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 3200 | 0.35 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 400 | 0.41 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 6700 | 0.33 | Functional ≤ 10μM |
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other | Other | 1900 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 20 | 0.49 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 20 | 0.49 | Binding ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 193 | 0.43 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 130 | 0.44 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 3.7 | 0.54 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 30 | 0.48 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 3 | 0.54 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 25 | 0.48 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 1900 | 0.36 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3200 | 0.35 | Functional ≤ 10μM |
