UCSF

ZINC28564262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 30 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) 5.40 10.28 -31.3 2 4 1 37 404.578 3
Hi High (pH 8-9.5) 5.40 8.65 -8.17 1 4 0 36 403.57 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A5-1-E Glycine Transporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.24 Functional ≤ 10μM
SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A9_HUMAN P48067 Glycine Transporter 1, Human 55 0.34 Functional ≤ 10μM
SC6A5_HUMAN Q9Y345 Glycine Transporter 2, Human 9000 0.24 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Na+/Cl- dependent neurotransmitter transporters

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