UCSF

ZINC22146651

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 31 No

Popular Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic 3-[(4Z)-3-methyl-4-[[5-(4-nitrop…

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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) 4.09 13.57 -72.82 0 9 -1 134 416.369 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA5-1-E Coagulation Factor V (cluster #1 Of 2), Eukaryotic Eukaryotes 9190 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA5_HUMAN P12259 Coagulation Factor V, Human 6710 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Common Pathway
Platelet degranulation

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

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