UCSF

ZINC28962924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 20 Yes

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) 3.52 9.56 -31.76 1 2 1 8 273.444 3
Lo Low (pH 4.5-6) 3.52 11.77 -102.74 2 2 2 9 274.452 3

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 1720 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 1720 0.40 Binding ≤ 10μM

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