ZINC 12

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)	2.37	8.87	-17.43	1	5	0	53	331.46	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	8.72	-36.85	2	5	0	54	332.468	7	↓ MOL2 SDF SMILES Flexibase

69510399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[ethyl(isopropyl)amino]-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-[ethyl(isopropyl)amino]-N-[(1R…

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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)	2.37	8.91	-9.41	1	5	0	53	331.46	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	8.77	-31.02	2	5	0	54	332.468	7	↓ MOL2 SDF SMILES Flexibase

65520455

Analogs

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Popular Name: 3-(isopropylcarbamoylamino)-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-(isopropylcarbamoylamino)-N-[(…

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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)	1.37	5.06	-30.64	3	7	0	91	346.431	6	↓ MOL2 SDF SMILES Flexibase

65520458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(isopropylcarbamoylamino)-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-(isopropylcarbamoylamino)-N-[(…

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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)	1.37	5.1	-20.84	3	7	0	91	346.431	6	↓ MOL2 SDF SMILES Flexibase

69772330

Analogs

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Popular Name: 4-bromo-2-hydroxy-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-bromo-2-hydroxy-N-methyl-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)	1.93	5.17	-12.86	1	5	0	61	341.205	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	6.09	-52.11	0	5	-1	64	340.197	4	↓ MOL2 SDF SMILES Flexibase

69814927

Analogs

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Popular Name: N1-tert-butyl-N4-methyl-N4-[2-(2-oxopyrrolidin-1-yl)ethyl]terephthalamide N1-tert-butyl-N4-methyl-N4-[2-(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)	1.04	6.89	-26.72	1	6	0	70	345.443	6	↓ MOL2 SDF SMILES Flexibase

49226052

Analogs

37782104
37782105
37782106
37782107
37782246

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,4-difluoro-N-[(1S)-1-methyl-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)	1.47	6.01	-20.54	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226056

Analogs

37782104
37782105
37782106
37782107
37782246

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,4-difluoro-N-[(1R)-1-methyl-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)	1.47	6.05	-9.33	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226075

Analogs

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Popular Name: 5-bromo-2-iodo-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-bromo-2-iodo-N-[(1S)-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)	3.04	7.58	-14.41	1	4	0	49	451.102	4	↓ MOL2 SDF SMILES Flexibase

49226079

Analogs

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Popular Name: 5-bromo-2-iodo-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-bromo-2-iodo-N-[(1R)-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)	3.04	7.62	-8.14	1	4	0	49	451.102	4	↓ MOL2 SDF SMILES Flexibase

49226091

Analogs

37782685
37782686
37790383
37790384

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-methyl-N-[(1S)-1-methyl-2-(2-o…

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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)	1.64	6.55	-18.45	1	4	0	49	260.337	4	↓ MOL2 SDF SMILES Flexibase

49226096

Analogs

37782685
37782686
37790381
37790382

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Popular Name: 3-methyl-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-methyl-N-[(1R)-1-methyl-2-(2-o…

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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)	1.64	6.59	-10.63	1	4	0	49	260.337	4	↓ MOL2 SDF SMILES Flexibase

49226099

Analogs

37782373
37782374

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,4-difluoro-N-[(1S)-1-methyl-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)	1.47	6.03	-21.66	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226104

Analogs

37782373
37782374

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,4-difluoro-N-[(1R)-1-methyl-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)	1.47	6.07	-10.53	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226116

Analogs

37782130
37782131
37782375
37782376
37782927

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Popular Name: 3,4-dichloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,4-dichloro-N-[(1S)-1-methyl-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)	2.50	6.85	-18.94	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49226120

Analogs

37782130
37782131
37782375
37782376
37782927

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,4-dichloro-N-[(1R)-1-methyl-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)	2.50	6.89	-8.57	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49226140

Analogs

37782086
37782087
37782301
37782302
37782471

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-chloro-N-[(1S)-1-methyl-2-(2-o…

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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)	1.85	6.4	-19.97	1	4	0	49	280.755	4	↓ MOL2 SDF SMILES Flexibase

49226144

Analogs

37782086
37782087
37782471
37782472

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-chloro-N-[(1R)-1-methyl-2-(2-o…

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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)	1.85	6.44	-10.93	1	4	0	49	280.755	4	↓ MOL2 SDF SMILES Flexibase

49226164

Analogs

37782054
37782055
37782333
37782334

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Popular Name: 2-methoxy-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-methoxy-N-[(1S)-1-methyl-2-(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)	1.77	6.43	-21.57	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49226168

Analogs

37782054
37782055
37782333
37782334

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Popular Name: 2-methoxy-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-methoxy-N-[(1R)-1-methyl-2-(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)	1.77	6.47	-13.51	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

49226226

Analogs

37782244
37782245
37782343
37782344
37782345

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Popular Name: 2,6-difluoro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,6-difluoro-N-[(1S)-1-methyl-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)	1.45	5.84	-19.61	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226229

Analogs

37782244
37782245
37782343
37782344
37782345

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,6-difluoro-N-[(1R)-1-methyl-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)	1.45	5.88	-14.64	1	4	0	49	282.29	4	↓ MOL2 SDF SMILES Flexibase

49226304

Analogs

37782150
37782151

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Popular Name: 3-bromo-5-fluoro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-bromo-5-fluoro-N-[(1S)-1-methy…

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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)	2.12	6.57	-15.56	1	4	0	49	343.196	4	↓ MOL2 SDF SMILES Flexibase

49226308

Analogs

37782150
37782151

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Popular Name: 3-bromo-5-fluoro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-bromo-5-fluoro-N-[(1R)-1-methy…

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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)	2.12	6.61	-8.22	1	4	0	49	343.196	4	↓ MOL2 SDF SMILES Flexibase

49226312

Analogs

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Popular Name: 4-chloro-3-iodo-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-chloro-3-iodo-N-[(1S)-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)	2.90	7.41	-18.76	1	4	0	49	406.651	4	↓ MOL2 SDF SMILES Flexibase

49226316

Analogs

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Popular Name: 4-chloro-3-iodo-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-chloro-3-iodo-N-[(1R)-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)	2.90	7.46	-8.49	1	4	0	49	406.651	4	↓ MOL2 SDF SMILES Flexibase

49226320

Analogs

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Popular Name: 5-chloro-2-iodo-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-chloro-2-iodo-N-[(1S)-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)	2.90	7.48	-14.56	1	4	0	49	406.651	4	↓ MOL2 SDF SMILES Flexibase

49226324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-iodo-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-chloro-2-iodo-N-[(1R)-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)	2.90	7.52	-8.26	1	4	0	49	406.651	4	↓ MOL2 SDF SMILES Flexibase

49252408

Analogs

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Popular Name: 2-chloro-6-hydroxy-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-chloro-6-hydroxy-N-[(1S)-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)	1.79	3.23	-16.89	2	5	0	70	296.754	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	4	-52.11	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

49252411

Analogs

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Popular Name: 2-chloro-6-hydroxy-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-chloro-6-hydroxy-N-[(1R)-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)	1.79	3.41	-13.34	2	5	0	70	296.754	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	4.19	-52.59	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

49252424

Analogs

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Popular Name: 4-bromo-2-chloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-bromo-2-chloro-N-[(1S)-1-methy…

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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)	2.63	7.01	-18.42	1	4	0	49	359.651	4	↓ MOL2 SDF SMILES Flexibase

49252427

Analogs

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Popular Name: 4-bromo-2-chloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 4-bromo-2-chloro-N-[(1R)-1-methy…

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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)	2.63	7.06	-8.56	1	4	0	49	359.651	4	↓ MOL2 SDF SMILES Flexibase

49252447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-hydroxy-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-bromo-2-hydroxy-N-[(1S)-1-meth…

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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)	2.49	5.03	-16.72	2	5	0	70	341.205	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	6.04	-58.21	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

49252450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-hydroxy-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 5-bromo-2-hydroxy-N-[(1R)-1-meth…

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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)	2.49	5.08	-10.73	2	5	0	70	341.205	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	6.08	-52.82	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

49252458

Analogs

37782044
37782045
37782333
37782334
37782741

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-5-methyl-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-hydroxy-5-methyl-N-[(1S)-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)	2.13	5.08	-19.84	2	5	0	70	276.336	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	6.09	-66.81	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

49252461

Analogs

37782333
37782334
37782741
37782742
37782839

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-5-methyl-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2-hydroxy-5-methyl-N-[(1R)-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)	2.13	5.13	-12.1	2	5	0	70	276.336	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	6.14	-59.53	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

49252469

Analogs

37782405
37782406

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,3-dichloro-N-[(1S)-1-methyl-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)	2.48	6.86	-21.45	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252472

Analogs

37782405
37782406

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,3-dichloro-N-[(1R)-1-methyl-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)	2.48	6.9	-10.68	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252475

Analogs

37782405
37782406

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Popular Name: 2,5-dichloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,5-dichloro-N-[(1S)-1-methyl-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)	2.50	6.92	-16.24	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252477

Analogs

37782405
37782406

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Popular Name: 2,5-dichloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 2,5-dichloro-N-[(1R)-1-methyl-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)	2.50	6.96	-9.42	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252480

Analogs

37782130
37782131
37782405
37782406
37782717

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,5-dichloro-N-[(1S)-1-methyl-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)	2.50	6.9	-15.51	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252481

Analogs

37782130
37782131
37782405
37782406
37782717

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,5-dichloro-N-[(1R)-1-methyl-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)	2.50	6.95	-7.94	1	4	0	49	315.2	4	↓ MOL2 SDF SMILES Flexibase

49252484

Analogs

37782685
37782686
37790381
37790382

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,5-dimethyl-N-[(1S)-1-methyl-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)	2.04	7.22	-18.06	1	4	0	49	274.364	4	↓ MOL2 SDF SMILES Flexibase

49252487

Analogs

37782685
37782686
37790381
37790382

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3,5-dimethyl-N-[(1R)-1-methyl-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)	2.04	7.26	-10.59	1	4	0	49	274.364	4	↓ MOL2 SDF SMILES Flexibase

49252495

Analogs

37782064
37782065
37782066
37782067
37782246

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-fluoro-N-[(1S)-1-methyl-2-(2-o…

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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)	1.35	5.95	-20.71	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

49252498

Analogs

37782064
37782065
37782066
37782067
37782246

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1R)-1-methyl-2-(2-oxopyrrolidin-1-yl)ethyl]benzamide 3-fluoro-N-[(1R)-1-methyl-2-(2-o…

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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)	1.35	5.99	-10.44	1	4	0	49	264.3	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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