UCSF

ZINC13125763

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 17 Yes

Popular Name: 1,3-Benzenediol, 4-(2-benzothiazolyl)-; 2-(2',4'-Dihydroxyphenyl)benzothiazole; 4-(2-Benzothiazolyl)-1,3-benzenediol; BRN 0214134; LS-29931 1,3-Benzenediol, 4-(2-benzothiaz…

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CAS Number: 6265-56-1

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) 3.52 2.29 -9.77 2 3 0 53 243.287 1 ↓
Hi High (pH 8-9.5) 3.52 3.06 -45.66 1 3 -1 56 242.279 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 7700 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 10 0.66 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 10 0.66 Binding ≤ 10μM

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

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