UCSF

ZINC45285300

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 27 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) 5.00 12.7 -10.91 1 3 0 36 352.437 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MDHM-1-E Malate Dehydrogenase, Mitochondrial (cluster #1 Of 2), Eukaryotic Eukaryotes 6200 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MDHM_HUMAN P40926 Malate Dehydrogenase, Mitochondrial, Human 6200 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Citric acid cycle (TCA cycle)
Gluconeogenesis

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