UCSF

ZINC00391471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 No

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) 3.00 2.63 -9.07 0 3 0 43 216.236 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPPD-1-E 4-hydroxyphenylpyruvate Dioxygenase (cluster #1 Of 3), Eukaryotic Eukaryotes 1580 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HPPD_PIG Q02110 4-hydroxyphenylpyruvate Dioxygenase, Pig 1580 0.51 Binding ≤ 10μM

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