UCSF

ZINC01043118

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 26 Yes

Popular Name: 2-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]thio}-6-oxo-4-(2-thienyl)-1,6-dihydropyrimidine-5-carbonitrile 2-{[2-(4-chloro-3-methylphenyl)-…

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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) 4.95 7.66 -41.38 0 5 -1 90 400.892 5 ↓
Mid Mid (pH 6-8) 4.95 -1.63 -11.03 1 5 0 86 401.9 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SERPH-1-E Collagen-binding Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SERPH_HUMAN P50454 Collagen-binding Protein 1, Human 6300 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Collagen biosynthesis and modifying enzymes

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

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