UCSF

ZINC00898052

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 17 Yes

Popular Name: Canthin-6-one Canthin-6-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 479-43-6 , [479-43-6]

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) 2.69 0.12 -13.78 0 3 0 34 220.231 0 ↓
Lo Low (pH 4.5-6) 2.69 0.2 -48.83 1 3 1 36 221.239 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 10000 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 10000 0.41 Binding ≤ 10μM

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