UCSF

ZINC02379869

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 No

Popular Name: 5-Benzyl-[1,3,4]oxadiazole-2-thiol 5-Benzyl-[1,3,4]oxadiazole-2-thiol

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CAS Number: 23288-90-6

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) 1.92 1.39 -39.88 0 3 -1 39 191.235 2 ↓
Mid Mid (pH 6-8) 1.19 2.15 -10.85 1 3 0 42 192.243 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 124 - 126 Enamine Building Blocks
MP 124...126 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem

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 3670 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 3670 0.59 Binding ≤ 10μM

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