UCSF

ZINC00225708

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide 2-hydroxy-N'-(2-hydroxybenzoyl)b…

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Other Names:

MFCD00804692

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.90 -4.15 -13.39 4 6 0 98 272.26 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 730 0.43 Binding ≤ 10μM
Z50607-4-O Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other Other 2200 0.40 Functional ≤ 10μM
Z50677-2-O Human Immunodeficiency Virus (cluster #2 Of 3), Other Other 100 0.49 Functional ≤ 10μM
Z80874-2-O CEM (T-cell Leukemia) (cluster #2 Of 7), Other Other 100 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 700 0.43 Binding ≤ 1μM
Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 10000 0.35 Binding ≤ 10μM
Z80874 Z80874 CEM (T-cell Leukemia) 100 0.49 Functional ≤ 10μM
Z50677 Z50677 Human Immunodeficiency Virus 100 0.49 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 2200 0.40 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.