UCSF

ZINC00120092

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 19 No

Popular Name: N'-Benzylidene-4-methylbenzenesulfonohydrazide N'-Benzylidene-4-methylbenzenesu…

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CAS Numbers: 1666-17-7 , [1666-17-7]

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) 2.89 5.38 -11.1 1 4 0 59 274.345 4 ↓
Mid Mid (pH 6-8) 2.89 5.68 -51.93 0 4 -1 61 273.337 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 130 TCI
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50609-1-O Simian Immunodeficiency Virus (cluster #1 Of 2), Other Other 360 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 360 0.47 Functional ≤ 10μM

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