UCSF

ZINC36338730

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 32 No

Popular Name: (2S,5S,8S)-2,5-dimethyl-8-[6-[(2S)-oxiran-2-yl]-6-oxo-hexyl]-3,6,9,16-tetrazacyclohexadecane-1,4,7,1 (2S,5S,8S)-2,5-dimethyl-8-[6-[(2…

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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) -0.14 2.35 -27.05 4 10 0 146 452.552 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q94F81-1-E Histone Deacetylase HD2 (cluster #1 Of 1), Eukaryotic Eukaryotes 110 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q94F81_MAIZE Q94F81 Histone Deacetylase HD2, Maize 110 0.30 Binding ≤ 1μM
Q94F81_MAIZE Q94F81 Histone Deacetylase HD2, Maize 110 0.30 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.