ZINC 12

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

53297945

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.35	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.34	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	11	0.33	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	30	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	4	0.35	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	4.7	0.34	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	11	0.33	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	4	0.35	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	4.7	0.34	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	11	0.33	Binding ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	30	0.31	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	8.36	-61.13	4	9	-1	139	459.482	6	↓ MOL2 SDF SMILES Flexibase

53298256

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.42	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	27	0.35	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	92	0.33	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	2	0.41	Functional ≤ 10μM
Z80548-3-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 5), Other	Other	204	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	1.2	0.42	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	27	0.35	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	92	0.33	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	1.2	0.42	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	27	0.35	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	92	0.33	Binding ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	2	0.41	Functional ≤ 10μM
Z80548	Z80548	THP-1 (Acute Monocytic Leukemia Cells)	204	0.31	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	5.95	-16.53	4	8	0	108	404.426	5	↓ MOL2 SDF SMILES Flexibase

53298317

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AURKA-1-E	Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.38	Binding ≤ 10μM
AURKB-1-E	Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	17	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGFRA_HUMAN	P16234	Platelet-derived Growth Factor Receptor Alpha, Human	0.98	0.39	Binding ≤ 1μM
AURKA_HUMAN	O14965	Serine/threonine-protein Kinase Aurora-A, Human	2.09	0.38	Binding ≤ 1μM
AURKB_HUMAN	Q96GD4	Serine/threonine-protein Kinase Aurora-B, Human	1.19	0.39	Binding ≤ 1μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	3.1	0.37	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	0.5	0.41	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	0.5	0.41	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	0.8	0.40	Binding ≤ 1μM
PGFRA_HUMAN	P16234	Platelet-derived Growth Factor Receptor Alpha, Human	0.98	0.39	Binding ≤ 10μM
AURKA_HUMAN	O14965	Serine/threonine-protein Kinase Aurora-A, Human	2.09	0.38	Binding ≤ 10μM
AURKB_HUMAN	Q96GD4	Serine/threonine-protein Kinase Aurora-B, Human	1.19	0.39	Binding ≤ 10μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	3.1	0.37	Binding ≤ 10μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	0.5	0.41	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	0.5	0.41	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	0.8	0.40	Binding ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	17	0.34	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	7.14	-63.29	4	9	-1	139	431.428	5	↓ MOL2 SDF SMILES Flexibase

53299064

Analogs

35824124

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.47	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.45	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.36	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.48	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	22	0.41	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	28	0.41	Functional ≤ 10μM
Z80099-1-O	COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other	Other	1680	0.31	Functional ≤ 10μM
Z81020-4-O	HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other	Other	4010	0.29	Functional ≤ 10μM
Z81024-1-O	NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other	Other	3280	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	230	0.36	Binding ≤ 1μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	10	0.43	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	10	0.43	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	1	0.48	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	22.4	0.41	Binding ≤ 1μM
PGFRB_HUMAN	P09619	Platelet-derived Growth Factor Receptor Beta, Human	230	0.36	Binding ≤ 10μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	10	0.43	Binding ≤ 10μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	10	0.43	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	1	0.48	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	22.4	0.41	Binding ≤ 10μM
Z80099	Z80099	COLO 205 (Colon Adenocarcinoma Cells)	1680	0.31	Functional ≤ 10μM
Z81020	Z81020	HepG2 (Hepatoblastoma Cells)	4010	0.29	Functional ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	28	0.41	Functional ≤ 10μM
Z81024	Z81024	NCI-H460 (Non-small Cell Lung Carcinoma)	3280	0.30	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	6.75	-13.53	4	6	0	90	344.374	3	↓ MOL2 SDF SMILES Flexibase

53312451

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.37	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.37	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.37	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	43	0.33	Functional ≤ 10μM
Z80099-1-O	COLO 205 (Colon Adenocarcinoma Cells) (cluster #1 Of 3), Other	Other	6150	0.24	Functional ≤ 10μM
Z81020-4-O	HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other	Other	520	0.28	Functional ≤ 10μM
Z81024-1-O	NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other	Other	2830	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	6	0.37	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	0.2	0.44	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	7.6	0.37	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	5.8	0.37	Binding ≤ 1μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	6	0.37	Binding ≤ 10μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	0.2	0.44	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	7.6	0.37	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	5.8	0.37	Binding ≤ 10μM
Z80099	Z80099	COLO 205 (Colon Adenocarcinoma Cells)	6150	0.24	Functional ≤ 10μM
Z81020	Z81020	HepG2 (Hepatoblastoma Cells)	520	0.28	Functional ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	43	0.33	Functional ≤ 10μM
Z81024	Z81024	NCI-H460 (Non-small Cell Lung Carcinoma)	2830	0.25	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	8.37	-61.73	4	8	-1	130	415.429	4	↓ MOL2 SDF SMILES Flexibase

53312866

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.34	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.33	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	10	0.32	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	13	0.32	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	8	0.32	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	10	0.32	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	4.5	0.33	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	2.7	0.34	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	10	0.32	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	13	0.32	Binding ≤ 1μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	4.5	0.33	Binding ≤ 10μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	2.7	0.34	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	10	0.32	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	13	0.32	Binding ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	8	0.32	Functional ≤ 10μM
Z80548	Z80548	THP-1 (Acute Monocytic Leukemia Cells)	10	0.32	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	9.15	-60.94	4	9	-1	139	473.509	7	↓ MOL2 SDF SMILES Flexibase

53312868

Analogs

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	7.82	-64.52	4	8	-1	130	401.402	4	↓ MOL2 SDF SMILES Flexibase

53313085

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.45	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.42	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	14	0.41	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.42	Binding ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	9	0.42	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	1000	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	9	0.42	Binding ≤ 1μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	1.9	0.45	Binding ≤ 1μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	13.7	0.41	Binding ≤ 1μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	8.7	0.42	Binding ≤ 1μM
KIT_HUMAN	P10721	Stem Cell Growth Factor Receptor, Human	9	0.42	Binding ≤ 10μM
FLT3_HUMAN	P36888	Tyrosine-protein Kinase Receptor FLT3, Human	1.9	0.45	Binding ≤ 10μM
VGFR2_HUMAN	P35968	Vascular Endothelial Growth Factor Receptor 2, Human	13.7	0.41	Binding ≤ 10μM
VGFR3_HUMAN	P35916	Vascular Endothelial Growth Factor Receptor 3, Human	8.7	0.42	Binding ≤ 10μM
Z100405	Z100405	MV4-11 (Myeloid Leukemia Cells)	9	0.42	Functional ≤ 10μM
Z80548	Z80548	THP-1 (Acute Monocytic Leukemia Cells)	1000	0.31	Functional ≤ 10μM

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	7.02	-16.54	4	6	0	90	378.819	3	↓ MOL2 SDF SMILES Flexibase

53313132

Analogs

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.33	8.34	-64.4	4	8	-1	130	435.847	4	↓ MOL2 SDF SMILES Flexibase

53313510

Analogs

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	6.48	-70.25	4	9	-1	139	417.401	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 38726
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 38726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    window.zinc.embed('zinc-link', {
        "ring.id": "38726"        

    });
</script>

ZINC 12

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