UCSF

ZINC00315972

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Popular Name: 4-[2-[(4-methyl-2-pyridyl)amino]thiazol-4-yl]resorcinol 4-[2-[(4-methyl-2-pyridyl)amino]…

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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) 3.39 4.27 -11.01 3 5 0 78 299.355 3 ↓
Lo Low (pH 4.5-6) 3.39 3.69 -38.23 4 5 1 80 300.363 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-F Tyrosinase (cluster #1 Of 8), Fungal Fungi 100 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 100 0.47 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 100 0.47 Binding ≤ 10μM

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

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