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ZINC Item

Suppliers, Protomers, & Similar Substances

752020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)indolizine 2-(4-nitrophenyl)indolizine

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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)	3.71	2.67	-10.5	0	4	0	50	238.246	2	↓ MOL2 SDF SMILES Flexibase

5778067

Analogs

32192449

Draw Identity 99% 90% 80% 70%

Popular Name: indolizine-1-carbonitrile indolizine-1-carbonitrile

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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)	1.71	3.51	-9.4	0	2	0	28	142.161	0	↓ MOL2 SDF SMILES Flexibase

3236526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butylphenyl)-2-keto-2-(2-phenylindolizin-3-yl)acetamide N-(2-tert-butylphenyl)-2-keto-2-…

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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)	5.98	3.59	-11.69	1	4	0	50	396.49	5	↓ MOL2 SDF SMILES Flexibase

3236525

Analogs

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Popular Name: N-(3-bromophenyl)-2-keto-2-(2-phenylindolizin-3-yl)acetamide N-(3-bromophenyl)-2-keto-2-(2-ph…

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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)	5.10	11.98	-10.57	1	4	0	51	419.278	4	↓ MOL2 SDF SMILES Flexibase

33815785

Analogs

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Popular Name: methyl methyl

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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)	3.54	10.31	-7.22	0	3	0	31	251.285	3	↓ MOL2 SDF SMILES Flexibase

3236510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-methyl-1-(3,4,5-triethoxybenzoyl)indolizin-3-yl]propionitrile 3-[2-methyl-1-(3,4,5-triethoxybe…

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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)	4.42	5.01	-16.97	0	6	0	72	420.509	10	↓ MOL2 SDF SMILES Flexibase

19863957

Analogs

956849

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(morpholinomethyl)-1,2-diphenyl-indolizine 3-(morpholinomethyl)-1,2-dipheny…

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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)	5.37	12.37	-6.83	0	3	0	17	368.48	4	↓ MOL2 SDF SMILES Flexibase

12398989

Analogs

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Popular Name: 2-(1-methylpyrazol-4-yl)indolizine 2-(1-methylpyrazol-4-yl)indolizine

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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)	2.13	2.74	-9.96	0	3	0	22	197.241	1	↓ MOL2 SDF SMILES Flexibase

12399098

Analogs

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Popular Name: 2-(1-ethylpyrazol-4-yl)indolizine-3-carbaldehyde 2-(1-ethylpyrazol-4-yl)indolizin…

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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)	2.54	2.72	-14	0	4	0	39	239.278	3	↓ MOL2 SDF SMILES Flexibase

36754382

Analogs

44513522

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-1-piperidyl)methyl]indolizine-1-carbonitrile 2-[(4-amino-1-piperidyl)methyl]i…

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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)	0.71	4.96	-46.39	3	4	1	59	255.345	2	↓ MOL2 SDF SMILES Flexibase

13012367

Analogs

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Popular Name: (1-cyanoindolizin-2-yl)methyl (1-cyanoindolizin-2-yl)methyl

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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)	4.28	10.35	-10.85	2	5	0	81	360.2	4	↓ MOL2 SDF SMILES Flexibase

13013315

Analogs

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Popular Name: (1-cyanoindolizin-2-yl)methyl (1-cyanoindolizin-2-yl)methyl

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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)	2.76	9.92	-28.37	1	7	0	100	358.357	5	↓ MOL2 SDF SMILES Flexibase

13014983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-2-methyl-indolizine-3-carboxamide N-[1-(3-isopropenylphenyl)-1-met…

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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)	4.95	11.73	-8.85	1	3	0	34	332.447	4	↓ MOL2 SDF SMILES Flexibase

54418337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-aminoethyl(methyl)amino]methyl]indolizine-1-carbonitrile 2-[[2-aminoethyl(methyl)amino]me…

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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)	0.25	3.8	-49.2	3	4	1	59	229.307	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.25	6.12	-120.2	4	4	2	60	230.315	4	↓ MOL2 SDF SMILES Flexibase

22760120

Analogs

4585196

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-ethylbenzoyl)indolizine-1-carbonitrile 2-amino-3-(4-ethylbenzoyl)indoli…

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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)	3.73	9.11	-10.48	2	4	0	71	289.338	3	↓ MOL2 SDF SMILES Flexibase

22760125

Analogs

4585196

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-isopropylbenzoyl)indolizine-1-carbonitrile 2-amino-3-(4-isopropylbenzoyl)in…

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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	9.61	-10.39	2	4	0	71	303.365	3	↓ MOL2 SDF SMILES Flexibase

22760132

Analogs

5333659

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Popular Name: ethyl ethyl

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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)	4.19	10.25	-12.6	2	5	0	74	336.391	6	↓ MOL2 SDF SMILES Flexibase

22760137

Analogs

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Popular Name: ethyl ethyl

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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)	4.46	11.29	-12.85	2	5	0	74	362.429	5	↓ MOL2 SDF SMILES Flexibase

22760141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-nitrobenzoyl)indolizine-1-carboxamide 2-amino-3-(4-nitrobenzoyl)indoli…

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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)	1.84	4.52	-15.32	4	8	0	136	324.296	4	↓ MOL2 SDF SMILES Flexibase

22760145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethylbenzoyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethylbenzoyl)i…

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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)	2.71	5.18	-16.33	4	5	0	91	307.353	3	↓ MOL2 SDF SMILES Flexibase

22760149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(tetralin-6-carbonyl)indolizine-1-carboxamide 2-amino-3-(tetralin-6-carbonyl)i…

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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)	3.07	6.33	-16.06	4	5	0	91	333.391	3	↓ MOL2 SDF SMILES Flexibase

22760152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3-methoxybenzoyl)indolizine-1-carboxamide 2-amino-3-(3-methoxybenzoyl)indo…

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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)	1.92	3.16	-18.01	4	6	0	100	309.325	4	↓ MOL2 SDF SMILES Flexibase

22760156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-isopropylbenzoyl)indolizine-1-carboxamide 2-amino-3-(4-isopropylbenzoyl)in…

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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)	3.40	5.79	-13.95	4	5	0	91	321.38	4	↓ MOL2 SDF SMILES Flexibase

22760160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-tert-butylbenzoyl)indolizine-1-carboxamide 2-amino-3-(4-tert-butylbenzoyl)i…

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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)	3.59	6.18	-13.88	4	5	0	91	335.407	4	↓ MOL2 SDF SMILES Flexibase

22760165

Analogs

4585202

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(4-ethylbenzoyl)-N-phenyl-indolizine-1-carboxamide 2-amino-3-(4-ethylbenzoyl)-N-phe…

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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)	4.87	10.55	-15.24	3	5	0	77	383.451	5	↓ MOL2 SDF SMILES Flexibase

22760212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(p-tolyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.05	9.01	-15.74	3	7	0	95	429.476	6	↓ MOL2 SDF SMILES Flexibase

22760233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.68	-16.1	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760261

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,4-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.8	-15.65	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760292

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,3-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.40	9.85	-15.71	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760318

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,5-dimethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.43	9.85	-15.68	3	7	0	95	443.503	6	↓ MOL2 SDF SMILES Flexibase

22760350

Analogs

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Popular Name: 2-amino-N-(3,5-dimethylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(3,5-dimethylphenyl)-3…

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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)	4.74	11.1	-15.09	3	8	0	122	428.448	5	↓ MOL2 SDF SMILES Flexibase

22760383

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.66	7.66	-16.54	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760391

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(3-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.63	7.67	-18.76	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760400

Analogs

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Popular Name: 2-amino-3-(4-bromobenzoyl)-N-(3-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(4-bromobenzoyl)-N-(3-…

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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)	4.80	9.05	-15.34	3	6	0	86	464.319	5	↓ MOL2 SDF SMILES Flexibase

22760411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.61	7.78	-15.68	3	8	0	104	445.475	7	↓ MOL2 SDF SMILES Flexibase

22760415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethylbenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethylbenzoyl)-…

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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)	4.79	9.87	-13.86	3	6	0	86	413.477	5	↓ MOL2 SDF SMILES Flexibase

22760427

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,4-dimethoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.64	7.09	-16.11	3	9	0	114	475.501	8	↓ MOL2 SDF SMILES Flexibase

22760442

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2,5-dimethoxyphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	3.64	7.08	-18.25	3	9	0	114	475.501	8	↓ MOL2 SDF SMILES Flexibase

22760454

Analogs

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Popular Name: 2-amino-N-(2,5-dimethoxyphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide 2-amino-N-(2,5-dimethoxyphenyl)-…

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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)	3.95	8.5	-17.24	3	10	0	141	460.446	7	↓ MOL2 SDF SMILES Flexibase

22760490

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.45	9.64	-14.43	3	7	0	95	483.446	7	↓ MOL2 SDF SMILES Flexibase

22760497

Analogs

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Popular Name: 2-amino-3-(3-nitrobenzoyl)-N-[2-(trifluoromethyl)phenyl]indolizine-1-carboxamide 2-amino-3-(3-nitrobenzoyl)-N-[2-…

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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)	4.74	11.02	-15.1	3	8	0	122	468.391	6	↓ MOL2 SDF SMILES Flexibase

22760529

Analogs

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Popular Name: 2-amino-N-(4-bromophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(4-bromophenyl)-3-(3,4…

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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)	4.41	8.98	-15.26	3	7	0	95	494.345	6	↓ MOL2 SDF SMILES Flexibase

22760568

Analogs

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Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(4-ethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.51	9.79	-15.66	3	7	0	95	443.503	7	↓ MOL2 SDF SMILES Flexibase

22760585

Analogs

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Popular Name: 2-amino-N-(4-ethylphenyl)-3-(tetralin-6-carbonyl)indolizine-1-carboxamide 2-amino-N-(4-ethylphenyl)-3-(tet…

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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)	6.05	13.03	-13.24	3	5	0	77	437.543	5	↓ MOL2 SDF SMILES Flexibase

22760634

Analogs

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Popular Name: 2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,5-dichlorophenyl)-3…

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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)	4.89	9.38	-14.55	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22760674

Analogs

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Popular Name: 2-amino-N-(3-chloro-4-methyl-phenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3-chloro-4-methyl-phe…

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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)	4.66	9.49	-16.94	3	7	0	95	463.921	6	↓ MOL2 SDF SMILES Flexibase

22760712

Analogs

4585205

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Popular Name: 2-amino-N-(2-ethylphenyl)-3-(4-methylbenzoyl)indolizine-1-carboxamide 2-amino-N-(2-ethylphenyl)-3-(4-m…

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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)	5.27	11.39	-12.97	3	5	0	77	397.478	5	↓ MOL2 SDF SMILES Flexibase

22760716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-ethylphenyl)indolizine-1-carboxamide 2-amino-3-(3,4-dimethoxybenzoyl)…

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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)	4.47	10	-14.98	3	7	0	95	443.503	7	↓ MOL2 SDF SMILES Flexibase

22760758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,4-dichlorophenyl)-3…

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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)	4.88	9.33	-16.73	3	7	0	95	484.339	6	↓ MOL2 SDF SMILES Flexibase

22760761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)indolizine-1-carboxamide 2-amino-N-(3,4-dichlorophenyl)-3…

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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)	5.30	9.41	-14.73	3	6	0	86	454.313	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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