UCSF

ZINC40401756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 27 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) 4.53 10.23 -12.14 0 5 0 52 352.397 3

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 55 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP4_HUMAN P12644 Bone Morphogenetic Protein 4, Human 55 0.38 Binding ≤ 1μM
BMP4_HUMAN P12644 Bone Morphogenetic Protein 4, Human 55 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Molecules associated with elastic fibres

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