UCSF

ZINC00084072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 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) 1.90 6.06 -43.37 3 2 1 32 201.293 1

Vendor Notes

Note Type Comments Provided By
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
MP 223 - 227° Fluorochem
MP 223-227° Matrix Scientific
MP 226-229° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-10-O Rattus Norvegicus (cluster #10 Of 12), Other Other 60 0.67 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 60 0.67 Functional ≤ 10μM

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