UCSF

ZINC29412914

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 30 No

Popular Name: C13804; ORG 20599 C13804; ORG 20599

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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) 4.00 9.53 -43.29 2 4 1 51 439.06 3 ↓
Mid Mid (pH 6-8) 4.00 8.13 -9.63 1 4 0 50 438.052 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-2-O GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other Other 171 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 171 0.32 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 171 0.32 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.