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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.55	-0.44	-40.12	3	3	0	68	75.067	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.55	-0.82	-42.26	2	3	-1	66	74.059	1	↓ MOL2 SDF SMILES Flexibase

Vendor Notes

Note Type	Comments	Provided By
UniProt Database Links	053R_FRG3G; 068R_FRG3G; 087L_FRG3G; 123L_IIV3; 261R_IIV6; 2ABD_CHICK; 2ABD_HUMAN; 2ABD_MOUSE; 2ABD_RAT; 3BP5L_BOVIN; 3BP5L_HUMAN; 3BP5L_PONAB; 3XYN1_VIBSX; 3XYN_ALCSP; 458R_IIV6; 4FTAS_STRCT; 7DMAW_ASPFU; A16_FOWPN; A16_RABPU; A16_VACCA; A16_VACCC; A16_VA	ChEBI
UniProt Database Links	053R_FRG3G; 458R_IIV6; 4FTAS_STRCT; A16_FOWPN; A16_RABPU; A16_VACCA; A16_VACCC; A16_VACCT; A16_VACCW; A16_VAR67; AACL1_BRADU; AACL2_BRADU; AACL_AGRT5; AACP1_BRADU; AACP2_BRADU; AACP_AGRT5; AAKB1_BOVIN; AAKB1_HUMAN; AAKB1_MOUSE; AAKB1_PONAB; AAKB1_RAT; AAM	ChEBI
Melting_Point	175-178?	Alfa-Aesar
Melting_Point	175-178°	Alfa-Aesar
Mp [°C]	178 - 182	Acros Organics
Mp [°C]	182	Acros Organics
Mp [°C]	197 - 201	Acros Organics
MP	240 °C (dec.)(lit.)	Indofine
Melting_Point	240? dec.	Alfa-Aesar
MP	246 - 248	Enamine Building Blocks
MP	246...248	Enamine Building Blocks
ALOGPS_SOLUBILITY	5.52e+02 g/l	DrugBank-nutriceuticals
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	98%	Fluorochem
BP [°C]	>233	Acros Organics
Melting_Point	ca 245? dec.	Alfa-Aesar
Melting_Point	ca 245° dec.	Alfa-Aesar
Patent Database Links	EP0806203; EP0806411; EP0811599; EP0811600; EP0870760; EP0898963; EP0922699; EP0933365; EP0971025; EP1041070; EP1043322; EP1082304; EP1088550; EP1106609; EP1110552; EP1113008; EP1123929; EP1132380; EP1151994; EP1151997; EP1157987; EP1167353; EP1219634; EP	ChEBI
SOLUBILITY	H2O: 100 mg/mL	Indofine
Notes	Ph.Eur, Pyrogen freeComponent of tris-glycine-sds running buffers forpolyacrylamide gel electrophoresis	Apollo Scientific Bioactives
Reactome Database Links	REACT_11108; REACT_111140; REACT_111222; REACT_11159; REACT_13449; REACT_1345; REACT_13482; REACT_13564; REACT_13677; REACT_14785; REACT_14802; REACT_14841; REACT_14843; REACT_14851; REACT_150428; REACT_15395; REACT_15471; REACT_15522; REACT_16972; REACT_	ChEBI
S phrase	S24/25: Avoid contact with skin and eyes.	Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLRA1-2-E	Glycine Receptor Subunit Alpha-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA2-2-E	Glycine Receptor Subunit Alpha-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA3-2-E	Glycine Receptor Alpha-3 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRA4-2-E	Glycine Receptor Alpha-4 Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
GLRB-2-E	Glycine Receptor Beta Chain (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	1.46	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	6200	1.46	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	86	1.98	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDZ1_RAT	P35439	Glutamate (NMDA) Receptor Subunit Zeta 1, Rat	250	1.85	Binding ≤ 1μM
Z104302	Z104302	Glutamate NMDA Receptor	170	1.90	Binding ≤ 1μM
NMDZ1_RAT	P35439	Glutamate (NMDA) Receptor Subunit Zeta 1, Rat	250	1.85	Binding ≤ 10μM
Z104302	Z104302	Glutamate NMDA Receptor	170	1.90	Binding ≤ 10μM
GLRA1_RAT	P07727	Glycine Receptor Alpha-1 Chain, Rat	6000	1.46	Binding ≤ 10μM
GLRA2_RAT	P22771	Glycine Receptor Alpha-2 Chain, Rat	6000	1.46	Binding ≤ 10μM
GLRA3_RAT	P24524	Glycine Receptor Alpha-3 Chain, Rat	6000	1.46	Binding ≤ 10μM
GLRA4_MOUSE	Q61603	Glycine Receptor Alpha-4 Chain, Mouse	6000	1.46	Binding ≤ 10μM
GLRB_RAT	P20781	Glycine Receptor Beta Chain, Rat	6000	1.46	Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description	Species
Aflatoxin activation and detoxification	Rattus norvegicus Homo sapiens Gallus gallus Taeniopygia guttata Bos taurus Sus scrofa Danio rerio Xenopus tropicalis Drosophila melanogaster Mus musculus Canis familiaris Schizosaccharomyces pombe
Amino acid transport across the plasma membrane	Sus scrofa Oryza sativa Schizosaccharomyces pombe Homo sapiens Drosophila melanogaster Taeniopygia guttata Canis familiaris Bos taurus Saccharomyces cerevisiae Mus musculus Arabidopsis thaliana Caenorhabditis elegans Xenopus tropicalis Rattus norvegicus Gallus gallus Danio rerio
Antigen Presentation: Folding, assembly and peptide loading of class I MHC	Canis familiaris Caenorhabditis elegans Gallus gallus Mus musculus Homo sapiens Rattus norvegicus Sus scrofa Drosophila melanogaster Danio rerio Dictyostelium discoideum Xenopus tropicalis Oryza sativa Bos taurus
Antigen processing: Ubiquitination & Proteasome degradation	Dictyostelium discoideum Saccharomyces cerevisiae Drosophila melanogaster Rattus norvegicus Taeniopygia guttata Gallus gallus Schizosaccharomyces pombe Bos taurus Homo sapiens Canis familiaris Xenopus tropicalis Sus scrofa Danio rerio Caenorhabditis elegans Arabidopsis thaliana Plasmodium falciparum Oryza sativa Mus musculus
Carnitine synthesis	Bos taurus Plasmodium falciparum Oryza sativa Danio rerio Taeniopygia guttata Dictyostelium discoideum Rattus norvegicus Saccharomyces cerevisiae Drosophila melanogaster Gallus gallus Homo sapiens Arabidopsis thaliana Mus musculus Caenorhabditis elegans Canis familiaris Xenopus tropicalis Schizosaccharomyces pombe
Conjugation of benzoate with glycine	Homo sapiens Bos taurus Mus musculus Danio rerio Sus scrofa Canis familiaris Rattus norvegicus
Conjugation of salicylate with glycine	Canis familiaris Rattus norvegicus Sus scrofa Danio rerio Homo sapiens Mus musculus Bos taurus
Creatine metabolism	Danio rerio Gallus gallus Homo sapiens Rattus norvegicus Sus scrofa Bos taurus Mus musculus Taeniopygia guttata Canis familiaris Xenopus tropicalis
CREB phosphorylation through the activation of CaMKII	Sus scrofa Caenorhabditis elegans Homo sapiens Bos taurus Canis familiaris Gallus gallus Xenopus tropicalis Mus musculus Drosophila melanogaster Taeniopygia guttata Rattus norvegicus Danio rerio
Cross-presentation of soluble exogenous antigens (endosomes)	Caenorhabditis elegans Gallus gallus Homo sapiens Arabidopsis thaliana Sus scrofa Mus musculus Canis familiaris Saccharomyces cerevisiae Oryza sativa Danio rerio Schizosaccharomyces pombe Bos taurus Plasmodium falciparum Xenopus tropicalis Drosophila melanogaster Rattus norvegicus Dictyostelium discoideum Taeniopygia guttata
Cytosolic tRNA aminoacylation	Gallus gallus Xenopus tropicalis Homo sapiens Drosophila melanogaster Sus scrofa Dictyostelium discoideum Schizosaccharomyces pombe Bos taurus Saccharomyces cerevisiae Canis familiaris Rattus norvegicus Danio rerio Caenorhabditis elegans Mus musculus Oryza sativa Plasmodium falciparum Arabidopsis thaliana Taeniopygia guttata
De novo synthesis of IMP	Gallus gallus
Endosomal/Vacuolar pathway	Canis familiaris Caenorhabditis elegans Dictyostelium discoideum Sus scrofa Bos taurus Taeniopygia guttata Drosophila melanogaster Xenopus tropicalis Mus musculus Gallus gallus Rattus norvegicus Homo sapiens Danio rerio
EPHB-mediated forward signaling	Drosophila melanogaster Bos taurus Taeniopygia guttata Danio rerio Rattus norvegicus Canis familiaris Mus musculus Gallus gallus Caenorhabditis elegans Sus scrofa Xenopus tropicalis Homo sapiens
ER-Phagosome pathway	Bos taurus Sus scrofa Taeniopygia guttata Danio rerio Canis familiaris Saccharomyces cerevisiae Schizosaccharomyces pombe Arabidopsis thaliana Oryza sativa Plasmodium falciparum Xenopus tropicalis Dictyostelium discoideum Mus musculus Drosophila melanogaster Homo sapiens Caenorhabditis elegans Gallus gallus Rattus norvegicus
Glutathione synthesis and recycling	Arabidopsis thaliana Danio rerio Homo sapiens Oryza sativa Xenopus tropicalis Schizosaccharomyces pombe Rattus norvegicus Mus musculus Plasmodium falciparum Canis familiaris Drosophila melanogaster Gallus gallus Taeniopygia guttata Caenorhabditis elegans Bos taurus Dictyostelium discoideum Sus scrofa Saccharomyces cerevisiae
Glyoxylate metabolism	Canis familiaris Arabidopsis thaliana Rattus norvegicus Mus musculus Xenopus tropicalis Gallus gallus Bos taurus Saccharomyces cerevisiae Oryza sativa Caenorhabditis elegans Danio rerio Taeniopygia guttata Drosophila melanogaster Dictyostelium discoideum Sus scrofa Homo sapiens Schizosaccharomyces pombe
Heme biosynthesis	Oryza sativa Dictyostelium discoideum Danio rerio Drosophila melanogaster Saccharomyces cerevisiae Rattus norvegicus Sus scrofa Plasmodium falciparum Schizosaccharomyces pombe Canis familiaris Bos taurus Homo sapiens Taeniopygia guttata Gallus gallus Xenopus tropicalis Mus musculus
Heme synthesis	Gallus gallus
Ligand-gated ion channel transport	Bos taurus Xenopus tropicalis Sus scrofa Drosophila melanogaster Rattus norvegicus Caenorhabditis elegans Canis familiaris Danio rerio Taeniopygia guttata Gallus gallus Homo sapiens Mus musculus
Metabolism of folate and pterines	Bos taurus Taeniopygia guttata Mus musculus Plasmodium falciparum Canis familiaris Drosophila melanogaster Arabidopsis thaliana Danio rerio Schizosaccharomyces pombe Xenopus tropicalis Homo sapiens Oryza sativa Saccharomyces cerevisiae Caenorhabditis elegans Rattus norvegicus Dictyostelium discoideum Gallus gallus
Mitochondrial tRNA aminoacylation	Homo sapiens Xenopus tropicalis Schizosaccharomyces pombe Taeniopygia guttata Plasmodium falciparum Caenorhabditis elegans Canis familiaris Gallus gallus Rattus norvegicus Sus scrofa Bos taurus Danio rerio Oryza sativa Mus musculus Drosophila melanogaster Dictyostelium discoideum Saccharomyces cerevisiae Arabidopsis thaliana
Na+/Cl- dependent neurotransmitter transporters	Mus musculus Danio rerio Caenorhabditis elegans Sus scrofa Taeniopygia guttata Rattus norvegicus Gallus gallus Drosophila melanogaster Homo sapiens Canis familiaris Bos taurus Xenopus tropicalis
Proton-coupled neutral amino acid transporters	Sus scrofa Schizosaccharomyces pombe Bos taurus Rattus norvegicus Canis familiaris Taeniopygia guttata Gallus gallus Arabidopsis thaliana Homo sapiens Caenorhabditis elegans Drosophila melanogaster Saccharomyces cerevisiae Mus musculus Danio rerio Oryza sativa Xenopus tropicalis
Proton/oligonucleotide cotransporters	Drosophila melanogaster Bos taurus Sus scrofa Xenopus tropicalis Canis familiaris Arabidopsis thaliana Danio rerio Homo sapiens Caenorhabditis elegans Mus musculus Oryza sativa Rattus norvegicus Taeniopygia guttata Dictyostelium discoideum Gallus gallus
Purine ribonucleoside monophosphate biosynthesis	Sus scrofa Gallus gallus Mus musculus Homo sapiens Schizosaccharomyces pombe Canis familiaris Rattus norvegicus Arabidopsis thaliana Danio rerio Drosophila melanogaster Taeniopygia guttata Xenopus tropicalis Caenorhabditis elegans Bos taurus Saccharomyces cerevisiae Oryza sativa Dictyostelium discoideum
Ras activation uopn Ca2+ infux through NMDA receptor	Sus scrofa Taeniopygia guttata Gallus gallus Xenopus tropicalis Canis familiaris Mus musculus Homo sapiens Rattus norvegicus Danio rerio Bos taurus
Recycling of bile acids and salts	Rattus norvegicus Sus scrofa Xenopus tropicalis Caenorhabditis elegans Mus musculus Gallus gallus Canis familiaris Homo sapiens Bos taurus Taeniopygia guttata Danio rerio
Sulfur amino acid metabolism	Drosophila melanogaster Homo sapiens Schizosaccharomyces pombe Taeniopygia guttata Gallus gallus Rattus norvegicus Bos taurus Danio rerio Saccharomyces cerevisiae Sus scrofa Caenorhabditis elegans Dictyostelium discoideum Canis familiaris Xenopus tropicalis Mus musculus
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol	Homo sapiens Canis familiaris Bos taurus Danio rerio Caenorhabditis elegans Gallus gallus Sus scrofa Mus musculus Taeniopygia guttata Rattus norvegicus Xenopus tropicalis
Synthesis of Leukotrienes (LT) and Eoxins (EX)	Mus musculus Schizosaccharomyces pombe Canis familiaris Drosophila melanogaster Homo sapiens Xenopus tropicalis Sus scrofa Rattus norvegicus Taeniopygia guttata Gallus gallus Bos taurus Danio rerio
Transport of inorganic cations/anions and amino acids/oligopeptides	Oryza sativa Sus scrofa Gallus gallus Mus musculus Rattus norvegicus Saccharomyces cerevisiae Drosophila melanogaster Caenorhabditis elegans Xenopus tropicalis Danio rerio Canis familiaris Bos taurus Arabidopsis thaliana Taeniopygia guttata Homo sapiens
Unblocking of NMDA receptor, glutamate binding and activation	Drosophila melanogaster Danio rerio Rattus norvegicus Homo sapiens Gallus gallus Bos taurus Xenopus tropicalis Sus scrofa Mus musculus Canis familiaris Taeniopygia guttata Caenorhabditis elegans

Reactome Annotations from Targets (via Uniprot)

Description	Species
CREB phosphorylation through the activation of CaMKII	Rattus norvegicus (NMDZ1_RAT)
EPHB-mediated forward signaling	Rattus norvegicus (NMDZ1_RAT)
Ligand-gated ion channel transport	Rattus norvegicus (GLRB_RAT)
Ras activation uopn Ca2+ infux through NMDA receptor	Rattus norvegicus (NMDZ1_RAT)
Unblocking of NMDA receptor, glutamate binding and activation	Rattus norvegicus (NMDZ1_RAT)

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

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

Synonyms (224)
Vendors (57)
Annotations (34)
Representations (2)
Notes (23)
Targets (9)
Clustered (7)
Reactome (5)
Rings (0)
Analogs (0)