UCSF

ZINC13161742

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 30 No

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) 4.59 10.49 -63.07 0 5 -1 70 406.502 8
Lo Low (pH 4.5-6) 4.59 9.67 -15.63 1 5 0 67 407.51 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANXA2-1-E Annexin A2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.26 Binding ≤ 10μM
S10AA-1-E Protein S100-A10 (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANXA2_HUMAN P07355 Annexin A2, Human 3000 0.26 Binding ≤ 10μM
S10AA_HUMAN P60903 Protein S100-A10, Human 3000 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dissolution of Fibrin Clot

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