UCSF

ZINC00001659

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 19 Yes

Popular Name: INN INN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2898-11-5 , 2898-12-6

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) 3.42 8.81 -25.48 1 2 1 17 271.771 1 ↓
Mid Mid (pH 6-8) 3.42 7.99 -4.22 0 2 0 16 270.763 1 ↓

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 528 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 528 0.46 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 528 0.46 Binding ≤ 10μM

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