UCSF

ZINC40977335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 27 Yes

CAS Numbers: 1062368-49-3 , 1285702-20-6 , [1062368-49-3]

Other Names:

MFCD28099805

N/A

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) 4.55 10.13 -11.99 0 5 0 52 352.397 3

Vendor Notes

Note Type Comments Provided By
Target TGF-beta/Smad Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BMP4-1-E Bone Morphogenetic Protein 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP4_HUMAN P12644 Bone Morphogenetic Protein 4, Human 3000 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Molecules associated with elastic fibres

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