| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | Yes |
Popular Name: (6R)-6-ethyl-6-(m-tolyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one (6R)-6-ethyl-6-(m-tolyl)pyrrolo[…
| 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) | 4.99 | 2.99 | -11.22 | 0 | 3 | 0 | 31 | 317.388 | 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 | 70 | 0.42 | Binding ≤ 10μM |
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50737-1-O | Human Immunodeficiency Virus 3 (cluster #1 Of 1), Other | Other | 425 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 100 | 0.41 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 100 | 0.41 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.35 | 0.55 | Functional ≤ 10μM |
| Z50737 | Z50737 | Human Immunodeficiency Virus 3 | 0.425 | 0.55 | Functional ≤ 10μM |
