UCSF

ZINC28460133

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 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) 6.45 7.69 -6.03 2 2 0 40 300.527 14

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 4000 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 4000 0.36 Functional ≤ 10μM

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