UCSF

ZINC00388556

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 13 Yes

Popular Name: 3-(2,4-Dihydroxyphenyl)propanoic acid 3-(2,4-Dihydroxyphenyl)propanoic…

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CAS Numbers: 5631-68-5 , [5631-68-5]

Download: MOL2 SDF SMILES Flexibase

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) 1.32 0.08 -48.08 2 4 -1 81 181.167 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 1850 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 1850 0.62 Binding ≤ 10μM

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