UCSF

ZINC05413245

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 11 No

Popular Name: DNC013735 DNC013735

Find On: PubMed — Wikipedia — Google

CAS Number: 5351-77-9

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) 1.74 3.9 -11.39 3 3 0 50 171.269 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4035244 IBM Patent Data
PUBCHEM_PATENT_ID US4317776; US4385055; US4401670; US4447427; US4493930; US4596798; US4657903; US4665173; US4739069; US4777166; US5281597 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-5-F Tyrosinase (cluster #5 Of 8), Fungal Fungi 950 0.77 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 950 0.77 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 950 0.77 Binding ≤ 10μM

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

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