UCSF

ZINC28701841

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 27 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) 3.31 6.25 -22.57 2 7 0 101 372.469 9
Lo Low (pH 4.5-6) 3.31 6.69 -46.31 3 7 1 102 373.477 9

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 6 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BMP1_HUMAN P13497 Bone Morphogenetic Protein 1, Human 6 0.43 Binding ≤ 1μM
BMP1_HUMAN P13497 Bone Morphogenetic Protein 1, Human 6 0.43 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% )