UCSF

ZINC03790168

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 32 Yes

Popular Name: [2-(hydroxymethyl)-8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexah [2-(hydroxymethyl)-8-[2-(4-hydro…

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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) 4.22 -0.28 -12.05 2 6 0 93 448.6 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 11 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 10.8 0.35 Binding ≤ 1μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 10.8 0.35 Binding ≤ 10μM

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