UCSF

ZINC27845372

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 26 No

Popular Name: 1-[(3R,5S,8R,9R,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-3-propyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17 1-[(3R,5S,8R,9R,10S,13S,14R,17S)…

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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) 5.68 10.14 -6.59 1 2 0 37 360.582 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 173 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 173 0.36 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 173 0.36 Binding ≤ 10μM

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