UCSF

ZINC05222968

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 15 No

Popular Name: 1-(2,4-dihydroxyphenyl)ethanone thiosemicarbazone 1-(2,4-dihydroxyphenyl)ethanone …

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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) 1.23 -0.69 -12.43 5 5 0 91 225.273 3 ↓
Ref Reference (pH 7) 1.23 -0.35 -13.65 5 5 0 91 225.273 3 ↓
Hi High (pH 8-9.5) 1.23 0.01 -43.41 4 5 -1 94 224.265 3 ↓
Hi High (pH 8-9.5) 1.23 0.43 -40.65 4 5 -1 94 224.265 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-5-F Tyrosinase (cluster #5 Of 8), Fungal Fungi 580 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 580 0.58 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 580 0.58 Binding ≤ 10μM

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

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