UCSF

ZINC00409652

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 Yes

Popular Name: 1-(2,6-diisopropylphenyl)-3-p-cumenyl-urea 1-(2,6-diisopropylphenyl)-3-p-cu…

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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) 5.70 1.5 -7.81 2 3 0 41 338.495 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 66 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 66 0.40 Binding ≤ 1μM
SOAT1_HUMAN P35610 Acyl Coenzyme A:cholesterol Acyltransferase 1, Human 66 0.40 Binding ≤ 10μM

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