UCSF

ZINC00396739

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 No

Popular Name: DNC013589 DNC013589

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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) 1.94 -3.44 -13.18 3 4 0 61 231.049 1 ↓
Hi High (pH 8-9.5) 1.94 -2.88 -51.04 2 4 -1 64 230.041 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-4-F Tyrosinase (cluster #4 Of 8), Fungal Fungi 2700 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 2700 0.65 Binding ≤ 10μM

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

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