UCSF

ZINC04582701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 13 No

Other Names:

MFCD00136203

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) 1.56 5.14 -11.59 3 3 0 50 193.275 4

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 7000 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 7000 0.56 Binding ≤ 10μM

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