UCSF

ZINC09036122

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 17 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) 3.63 -5.8 -8.55 2 3 0 53 489.097 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ARY1-1-E Arylamine N-acetyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 330 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARY1_HUMAN P18440 Arylamine N-acetyltransferase 1, Human 138 0.56 Binding ≤ 1μM
ARY1_HUMAN P18440 Arylamine N-acetyltransferase 1, Human 138 0.56 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylation

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