UCSF

ZINC15799433

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 35 No

Popular Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine (5E)-1-(1,3-benzodioxol-5-yl)-5-…

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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) 3.31 6.92 -52.69 0 12 -1 162 476.377 5 ↓
Lo Low (pH 4.5-6) 2.86 9.45 -17.63 1 12 0 159 477.385 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 5530 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA5_HUMAN P12259 Coagulation Factor V, Human 4800 0.21 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Common Pathway
Platelet degranulation

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