UCSF

ZINC00898642

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 Yes

Popular Name: DNC013694 DNC013694

Find On: PubMed — Wikipedia — Google

Other Names:

broussonin C

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) 5.89 -2.47 -8.33 3 3 0 60 312.409 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 570 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 230 0.40 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 230 0.40 Binding ≤ 10μM

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

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