UCSF

ZINC19313605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 28 No

Other Names:

MFCD00613860

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) 3.05 6.06 -14 1 7 0 76 443.301 4
Ref Reference (pH 7) 3.05 5.92 -18.47 1 7 0 76 443.301 4
Lo Low (pH 4.5-6) 3.05 8.78 -57.37 2 7 1 77 444.309 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 3500 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

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