UCSF

ZINC13377859

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 18 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) 2.80 -1.56 -8.96 4 4 0 81 246.262 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 370 0.50 Binding ≤ 10μM
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 370 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_HUMAN P14679 Tyrosinase, Human 370 0.50 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 370 0.50 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 370 0.50 Binding ≤ 10μM
TYRO_HUMAN P14679 Tyrosinase, Human 370 0.50 Binding ≤ 10μM

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