| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 20 | No |
Popular Name: N,N'-Bis(2-mercaptobenzoyl)hydrazide N,N'-Bis(2-mercaptobenzoyl)hydra…
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CAS Number: 292615-41-9
| 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) | 2.29 | -5.02 | -111.73 | 2 | 4 | -2 | 58 | 302.38 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q72547-5-V | Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #5 Of 6), Viral | Viruses | 4300 | 0.38 | Binding ≤ 10μM |
| Q7ZJM1-3-V | Human Immunodeficiency Virus Type 1 Integrase (cluster #3 Of 6), Viral | Viruses | 5100 | 0.37 | Binding ≤ 10μM |
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 4300 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q7ZJM1_9HIV1 | Q7ZJM1 | Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 | 5000 | 0.37 | Binding ≤ 10μM |
| Q72547_9HIV1 | Q72547 | Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 | 4300 | 0.38 | Binding ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 4300 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.