UCSF

ZINC56824197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 36 No

Popular Name: (2R,3R,4R,5R)-2-[2-[2-(2,4-dihydroxyphenyl)ethyl]-5-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2 (2R,3R,4R,5R)-2-[2-[2-(2,4-dihyd…

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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) -0.39 -6.62 -22.99 8 12 0 199 510.492 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 730 0.24 Binding ≤ 10μM
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 730 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 730 0.24 Binding ≤ 1μM
TYRO_HUMAN P14679 Tyrosinase, Human 730 0.24 Binding ≤ 1μM
TYRO_HUMAN P14679 Tyrosinase, Human 730 0.24 Binding ≤ 10μM
TYRO_AGABI O42713 Tyrosinase, Agabi 730 0.24 Binding ≤ 10μM

Rings

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

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