UCSF

ZINC49112623

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.03 10.58 -37.6 1 4 1 35 340.472 4 ↓
Hi High (pH 8-9.5) 4.03 8.07 -9.84 0 4 0 34 339.464 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 970 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 970 0.35 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 970 0.35 Binding ≤ 10μM

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

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