| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 22 | Yes |
Popular Name: 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one,11-ethyl-5,11-dihydro-8- -5-methyl- 6H-Dipyrido[3,2-b:2',3'-e][1,4]d…
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CAS Number: 211750-50-4
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-8-(2-hydroxyethyl)-5-methyl-
6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one,11-ethyl-5,11-dihydro-8-(2-hydroxyethyl)-5-methyl-
| 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) | 1.06 | 4.82 | -12.66 | 1 | 6 | 0 | 73 | 298.346 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 5.16 | -41.04 | 2 | 6 | 1 | 74 | 299.354 | 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 | 430 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 430 | 0.41 | Binding ≤ 1μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 2500 | 0.36 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.