UCSF

ZINC26188413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 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) 1.72 0.07 -24.52 5 10 0 146 442.538 10
Hi High (pH 8-9.5) 1.72 1.28 -59.83 4 10 -1 149 441.53 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BMP1-1-E Bone Morphogenetic Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP1_HUMAN P13497 Bone Morphogenetic Protein 1, Human 3600 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Anchoring fibril formation
Collagen biosynthesis and modifying enzymes
Crosslinking of collagen fibrils
Degradation of the extracellular matrix

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