UCSF

ZINC00384639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Popular Name: 4-chloro-2,5-dimethoxy-N-(3-pyridinyl)benzenesulfonamide 4-chloro-2,5-dimethoxy-N-(3-pyri…

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Other Names:

MFCD04152421

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) 2.28 2.42 -10.51 1 6 0 78 328.777 5 ↓
Mid Mid (pH 6-8) 2.28 2.27 -47.11 0 6 -1 80 327.769 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 1130 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPBT_HUMAN P05186 Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human 1130 0.40 Binding ≤ 10μM

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

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