UCSF

ZINC49051632

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 24 No

Popular Name: 3-(morpholinomethyl)-5-(1-naphthylmethyl)-1,3,4-oxadiazole-2-thione 3-(morpholinomethyl)-5-(1-naphth…

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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) 2.97 5.57 -10.68 0 5 0 43 341.436 4 ↓
Mid Mid (pH 6-8) 2.97 8.14 -39.99 1 5 1 45 342.444 4 ↓

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 1340 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 1340 0.34 Binding ≤ 10μM

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

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