UCSF

ZINC06706909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 21 Yes

Popular Name: 4-bromo-2,5-dimethoxy-N-(3-pyridyl)benzenesulfonamide 4-bromo-2,5-dimethoxy-N-(3-pyrid…

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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) 2.41 2.54 -10.44 1 6 0 78 373.228 5 ↓
Mid Mid (pH 6-8) 2.41 2.38 -47.05 0 6 -1 80 372.22 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1550 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPBT_HUMAN P05186 Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human 1550 0.39 Binding ≤ 10μM

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

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