UCSF

ZINC43910128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 23 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) 6.93 13.42 -47.06 0 3 -1 53 323.497 16
Lo Low (pH 4.5-6) 6.93 11.44 -8.4 1 3 0 50 324.505 16

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100336-1-O HSVEC (Human Saphenous Vein Endothelial Cells) (cluster #1 Of 1), Other Other 60 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100336 Z100336 HSVEC (Human Saphenous Vein Endothelial Cells) 60 0.44 Functional ≤ 10μM

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