UCSF

ZINC04654893

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 24 No

Popular Name: Tetrahydrodeoxycorticosterone Tetrahydrodeoxycorticosterone

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CAS Number: 567-02-2

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) 3.17 6.04 -9.68 2 3 0 58 334.5 2 ↓

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 192 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 192 0.39 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 192 0.39 Binding ≤ 10μM

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