UCSF

ZINC00236110

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: N-(4-aminophenyl)-4-chloro-benzenesulfonamide N-(4-aminophenyl)-4-chloro-benze…

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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) 2.46 2.8 -8.21 3 4 0 72 282.752 3 ↓
Hi High (pH 8-9.5) 2.46 2.84 -42.73 2 4 -1 74 281.744 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP51-1-B Sterol 14-alpha Demethylase (cluster #1 Of 2), Bacterial Bacteria 5000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP51_MYCTU P0A512 Lanosterol 14-alpha Demethylase, Myctu 5000 0.41 Binding ≤ 10μM

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