UCSF

ZINC01765793

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 18 No

Popular Name: 1,2-aceanthrylenedione 1,2-aceanthrylenedione

Find On: PubMed — Wikipedia — Google

CAS Number: 6373-11-1

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) 3.33 1.53 -12.28 0 2 0 34 232.238 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EST1-4-E Carboxylesterase (cluster #4 Of 7), Eukaryotic Eukaryotes 2 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 1.5 0.69 Binding ≤ 1μM
EST1_HUMAN P23141 Acyl Coenzyme A:cholesterol Acyltransferase, Human 1.5 0.69 Binding ≤ 10μM

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