UCSF

ZINC02539627

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 No

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

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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) 3.43 -0.39 -6.19 1 2 0 37 290.447 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50573-2-O Xenopus Laevis (cluster #2 Of 2), Other Other 5480 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50573 Z50573 Xenopus Laevis 1420 0.39 Functional ≤ 10μM

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