UCSF

ZINC04353146

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 8 Yes

Popular Name: alpha,alpha-Dimethyl-gamma-butyrolactone alpha,alpha-Dimethyl-gamma-butyr…

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CAS Number: 3709-08-8

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) 0.32 3.93 -7.93 0 2 0 26 114.144 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 194 / 27 TCI
MP 6 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-5-O GABA-A Receptor; Anion Channel (cluster #5 Of 8), Other Other 9200 0.88 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 9200 0.88 Binding ≤ 10μM

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