UCSF

ZINC04937432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 22 Yes

Popular Name: 2,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-4-methoxybenzenesulfonamide 2,5-dichloro-N-[3-(1H-imidazol-1…

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Other Names:

MFCD07396333

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) 2.23 4.78 -14.62 1 6 0 73 364.254 7 ↓
Mid Mid (pH 6-8) 2.23 5.28 -42.82 2 6 1 74 365.262 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-3-E Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic Eukaryotes 64 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 63.7 0.46 Binding ≤ 1μM
CP19A_HUMAN P11511 Cytochrome P450 19A1, Human 63.7 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Estrogen biosynthesis

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

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