UCSF

ZINC00102112

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 No

Popular Name: 4-methoxybenzoic-acid-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino]-ester 4-methoxybenzoic-acid-[(4-keto-3…

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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) 3.85 8.41 -10.21 0 5 0 65 285.299 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RBBP9-1-E Putative Hydrolase RBBP9 (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RBBP9_HUMAN O75884 Putative Hydrolase RBBP9, Human 1500 0.39 Binding ≤ 10μM

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

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