UCSF

ZINC64548555

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 31 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) 3.75 6.48 -43.27 1 5 -1 68 466.427 6
Mid Mid (pH 6-8) 3.75 5.97 -12.23 2 5 0 65 467.435 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DCMC-1-E Malonyl-CoA Decarboxylase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 640 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 4.7 0.38 Binding ≤ 1μM
DCMC_MOUSE Q99J39 Malonyl-CoA Decarboxylase, Mitochondrial, Mouse 640 0.28 Binding ≤ 1μM
DCMC_HUMAN O95822 Malonyl-CoA Decarboxylase, Human 4.7 0.38 Binding ≤ 10μM
DCMC_MOUSE Q99J39 Malonyl-CoA Decarboxylase, Mitochondrial, Mouse 640 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Peroxisomal lipid metabolism

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

No pre-computed analogs available. Try a structural similarity search.