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65156705

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-fluoro-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.67	7.23	-14.39	1	5	0	64	347.415	6	↓ MOL2 SDF SMILES Flexibase

65156710

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methyl-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.95	7.84	-14.9	1	5	0	64	343.452	6	↓ MOL2 SDF SMILES Flexibase

65156719

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methyl-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.90	8.07	-15.56	1	5	0	64	343.452	6	↓ MOL2 SDF SMILES Flexibase

65156722

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-fluoro-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.64	7.23	-14.98	1	5	0	64	347.415	6	↓ MOL2 SDF SMILES Flexibase

65156724

Analogs

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Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-fluoro-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.62	6.91	-16.33	1	5	0	64	347.415	6	↓ MOL2 SDF SMILES Flexibase

65156726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-methyl-benzenesulfonamide N-[2-(1-ethylpyrrolo[2,3-b]pyrid…

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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)	2.93	7.84	-14.94	1	5	0	64	343.452	6	↓ MOL2 SDF SMILES Flexibase

65156735

Analogs

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Popular Name: 3-cyano-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-cyano-N-[2-(1-ethylpyrrolo[2,3…

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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)	2.24	7.56	-17.48	1	6	0	88	354.435	6	↓ MOL2 SDF SMILES Flexibase

65156740

Analogs

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Popular Name: 4-fluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-fluoro-N-[2-(1-methylpyrrolo[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)	2.29	6.32	-14.51	1	5	0	64	333.388	5	↓ MOL2 SDF SMILES Flexibase

65156742

Analogs

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Popular Name: 4-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-methoxy-N-[2-(1-methylpyrrolo[…

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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)	2.19	5.55	-15.77	1	6	0	73	345.424	6	↓ MOL2 SDF SMILES Flexibase

65156743

Analogs

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Popular Name: 4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-methyl-N-[2-(1-methylpyrrolo[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)	2.58	6.93	-15.1	1	5	0	64	329.425	5	↓ MOL2 SDF SMILES Flexibase

65156748

Analogs

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Popular Name: N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide N-[2-(1-methylpyrrolo[2,3-b]pyri…

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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	6.25	-15.18	1	5	0	64	315.398	5	↓ MOL2 SDF SMILES Flexibase

65156752

Analogs

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Popular Name: 4-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-chloro-N-[2-(1-methylpyrrolo[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)	2.81	6.77	-14.24	1	5	0	64	349.843	5	↓ MOL2 SDF SMILES Flexibase

65156760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-methoxy-N-[2-(1-methylpyrrolo[…

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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)	2.16	5.55	-16.23	1	6	0	73	345.424	6	↓ MOL2 SDF SMILES Flexibase

65163019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-fluoro-3-methyl-N-[2-(1-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)	2.67	6.95	-14.5	1	5	0	64	347.415	5	↓ MOL2 SDF SMILES Flexibase

65163021

Analogs

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Popular Name: 2-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-methyl-N-[2-(1-methylpyrrolo[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)	2.53	7.15	-15.77	1	5	0	64	329.425	5	↓ MOL2 SDF SMILES Flexibase

65163036

Analogs

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Popular Name: 2,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,4-dimethyl-N-[2-(1-methylpyrro…

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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)	2.95	7.81	-15.68	1	5	0	64	343.452	5	↓ MOL2 SDF SMILES Flexibase

65163038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3,4-dimethyl-N-[2-(1-methylpyrro…

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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)	2.95	7.47	-15.16	1	5	0	64	343.452	5	↓ MOL2 SDF SMILES Flexibase

65163043

Analogs

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Popular Name: 4-ethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-ethyl-N-[2-(1-methylpyrrolo[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)	3.04	7.69	-14.68	1	5	0	64	343.452	6	↓ MOL2 SDF SMILES Flexibase

65163045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-chloro-N-[2-(1-methylpyrrolo[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)	2.78	6.77	-14.71	1	5	0	64	349.843	5	↓ MOL2 SDF SMILES Flexibase

65163048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-fluoro-N-[2-(1-methylpyrrolo[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)	2.27	6.32	-15.12	1	5	0	64	333.388	5	↓ MOL2 SDF SMILES Flexibase

65163051

Analogs

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Popular Name: 2-chloro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-chloro-N-[2-(1-methylpyrrolo[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)	2.76	6.31	-15.39	1	5	0	64	349.843	5	↓ MOL2 SDF SMILES Flexibase

65163053

Analogs

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Popular Name: 2-fluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-fluoro-N-[2-(1-methylpyrrolo[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)	2.24	6	-16.45	1	5	0	64	333.388	5	↓ MOL2 SDF SMILES Flexibase

65163056

Analogs

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Popular Name: 2,5-difluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,5-difluoro-N-[2-(1-methylpyrro…

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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)	2.38	6.07	-15.43	1	5	0	64	351.378	5	↓ MOL2 SDF SMILES Flexibase

65163057

Analogs

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Popular Name: 3,4-difluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3,4-difluoro-N-[2-(1-methylpyrro…

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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)	2.38	6.37	-15.14	1	5	0	64	351.378	5	↓ MOL2 SDF SMILES Flexibase

65163060

Analogs

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Popular Name: 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-methyl-N-[2-(1-methylpyrrolo[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)	2.55	6.92	-15.07	1	5	0	64	329.425	5	↓ MOL2 SDF SMILES Flexibase

65163062

Analogs

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Popular Name: 2,4-difluoro-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,4-difluoro-N-[2-(1-methylpyrro…

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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)	2.38	6.07	-14.64	1	5	0	64	351.378	5	↓ MOL2 SDF SMILES Flexibase

65163064

Analogs

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Popular Name: 4-acetyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-acetyl-N-[2-(1-methylpyrrolo[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)	2.03	6.73	-19.34	1	6	0	81	357.435	6	↓ MOL2 SDF SMILES Flexibase

65163066

Analogs

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Popular Name: 2-ethyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-ethyl-N-[2-(1-methylpyrrolo[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)	3.00	8.03	-15.3	1	5	0	64	343.452	6	↓ MOL2 SDF SMILES Flexibase

65163077

Analogs

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Popular Name: 3-cyano-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-cyano-N-[2-(1-methylpyrrolo[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)	1.86	6.64	-17.69	1	6	0	88	340.408	5	↓ MOL2 SDF SMILES Flexibase

65163141

Analogs

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Popular Name: N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide N-[2-(1-propylpyrrolo[2,3-b]pyri…

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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)	3.01	7.92	-14.87	1	5	0	64	343.452	7	↓ MOL2 SDF SMILES Flexibase

65163150

Analogs

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Popular Name: 4-fluoro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-fluoro-N-[2-(1-propylpyrrolo[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)	3.17	7.98	-14.14	1	5	0	64	361.442	7	↓ MOL2 SDF SMILES Flexibase

65163165

Analogs

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Popular Name: 2,5-dimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,5-dimethyl-N-[2-(1-propylpyrro…

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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)	3.83	9.49	-15.35	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

65163177

Analogs

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Popular Name: 2,4-dimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,4-dimethyl-N-[2-(1-propylpyrro…

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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)	3.83	9.48	-15.29	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

65163179

Analogs

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Popular Name: 3,4-dimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3,4-dimethyl-N-[2-(1-propylpyrro…

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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)	3.83	9.12	-14.79	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

65163196

Analogs

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Popular Name: 4-ethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-ethyl-N-[2-(1-propylpyrrolo[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)	3.92	9.36	-14.36	1	5	0	64	371.506	8	↓ MOL2 SDF SMILES Flexibase

65163201

Analogs

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Popular Name: 3-fluoro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-fluoro-N-[2-(1-propylpyrrolo[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)	3.15	7.99	-14.84	1	5	0	64	361.442	7	↓ MOL2 SDF SMILES Flexibase

65163203

Analogs

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Popular Name: 2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-methyl-N-[2-(1-propylpyrrolo[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)	3.41	8.81	-15.4	1	5	0	64	357.479	7	↓ MOL2 SDF SMILES Flexibase

65163207

Analogs

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Popular Name: 2-fluoro-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-fluoro-N-[2-(1-propylpyrrolo[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)	3.12	7.65	-16.07	1	5	0	64	361.442	7	↓ MOL2 SDF SMILES Flexibase

65163226

Analogs

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Popular Name: 3-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-methyl-N-[2-(1-propylpyrrolo[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)	3.43	8.58	-14.69	1	5	0	64	357.479	7	↓ MOL2 SDF SMILES Flexibase

65163235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2-ethyl-N-[2-(1-propylpyrrolo[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)	3.87	9.67	-14.98	1	5	0	64	371.506	8	↓ MOL2 SDF SMILES Flexibase

65163239

Analogs

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Popular Name: 2,3-dimethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 2,3-dimethyl-N-[2-(1-propylpyrro…

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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)	3.81	9.37	-15.39	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

65163270

Analogs

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Popular Name: 3-cyano-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 3-cyano-N-[2-(1-propylpyrrolo[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)	2.74	8.31	-17.33	1	6	0	88	368.462	7	↓ MOL2 SDF SMILES Flexibase

65163274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide 4-methyl-N-[2-(1-propylpyrrolo[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)	3.46	8.58	-14.71	1	5	0	64	357.479	7	↓ MOL2 SDF SMILES Flexibase

65163290

Analogs

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Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide N-[2-(1-isobutylpyrrolo[2,3-b]py…

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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)	3.25	8.48	-14.63	1	5	0	64	357.479	7	↓ MOL2 SDF SMILES Flexibase

65163342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methyl-benzenesulfonamide N-[2-(1-isobutylpyrrolo[2,3-b]py…

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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	9.18	-14.73	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

65163413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-isobutylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methyl-benzenesulfonamide N-[2-(1-isobutylpyrrolo[2,3-b]py…

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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)	3.70	9.15	-14.5	1	5	0	64	371.506	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 378644
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 = 378644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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