UCSF

ZINC14517293

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 21 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) 3.85 7.64 -11.37 1 4 0 55 276.295 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81225-2-O M109 (Lung Carcinoma Cells) (cluster #2 Of 2), Other Other 10000 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81225 Z81225 M109 (Lung Carcinoma Cells) 10000 0.33 Functional ≤ 10μM

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