UCSF

ZINC13489404

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 30 Yes

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) 2.62 6.28 -41.49 7 7 1 122 402.478 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA7-1-E Coagulation Factor VII (cluster #1 Of 1), Eukaryotic Eukaryotes 730 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA7_HUMAN P08709 Coagulation Factor VII, Human 730 0.29 Binding ≤ 1μM
FA7_HUMAN P08709 Coagulation Factor VII, Human 730 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Extrinsic Pathway
Gamma-carboxylation of protein precursors
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu

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