UCSF

ZINC01595811

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 No

Popular Name: N-[4-[[(E)-benzalamino]sulfamoyl]phenyl]acetamide N-[4-[[(E)-benzalamino]sulfamoyl…

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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) 1.66 3.61 -17.52 2 6 0 88 317.37 5 ↓
Mid Mid (pH 6-8) 1.66 3.91 -57.29 1 6 -1 90 316.362 5 ↓

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 650 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 650 0.39 Functional ≤ 10μM

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

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