UCSF

ZINC03872953

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 9 No

Popular Name: 1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride 1,2,3,6-Tetrahydro-pyridine-4-ca…

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CAS Numbers: 64603-90-3 , 68547-97-7

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) -0.42 2.86 -67.39 2 3 0 57 127.143 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Target Tumor necrosis factor(P01375)&Transcription factor p65(Q04206) Herbal Ingredients Targets

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 490 0.98 Binding ≤ 10μM
Z104301-2-O GABA-A Receptor; Anion Channel (cluster #2 Of 2), Other Other 3100 0.86 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 22 1.19 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 22 1.19 Binding ≤ 10μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 3100 0.86 Functional ≤ 10μM

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