UCSF

ZINC36338591

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 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) 5.56 9.32 -6.06 0 3 0 39 256.386 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9MYX2-1-E Carnitine Palmitoyltransferase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 1160 0.46 Binding ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 7000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9MYX2_PIG Q9MYX2 Carnitine Palmitoyltransferase 1A, Pig 1160 0.46 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 7000 0.40 Functional ≤ 10μM

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