UCSF

ZINC05410561

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 Yes

CAS Numbers: [14464-90-5] , [144655-81-2]

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) 1.85 -4.89 -14.46 4 8 0 117 420.458 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80600-1-O XF498 (Glioma Cells) (cluster #1 Of 2), Other Other 7140 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80600 Z80600 XF498 (Glioma Cells) 7140 0.24 Functional ≤ 10μM

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