UCSF

ZINC13743775

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 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) 1.85 2.44 -31.05 3 3 1 49 203.265 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 2300 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50588 Z50588 Canis Familiaris 2300 0.53 Functional ≤ 10μM

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