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)	2.02	6.05	-42.97	0	2	-1	25	251.4	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	6.73	-14.46	1	2	0	27	252.408	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	6.21	-7.72	1	2	0	27	252.408	2	↓ MOL2 SDF SMILES Flexibase

617

Analogs

26732916

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Popular Name: RP-40749 RP-40749

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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)	1.97	5.55	-42.41	0	2	-1	25	237.373	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	6.25	-13.49	1	2	0	27	238.381	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	5.64	-7.99	1	2	0	27	238.381	2	↓ MOL2 SDF SMILES Flexibase

49628457

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	-0.14	3.88	-10.39	1	4	0	53	276.361	2	↓ MOL2 SDF SMILES Flexibase

49628458

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	-0.14	3.93	-10.78	1	4	0	53	276.361	2	↓ MOL2 SDF SMILES Flexibase

49628459

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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)	0.13	4.65	-9	1	4	0	53	290.388	3	↓ MOL2 SDF SMILES Flexibase

49628460

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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)	0.13	4.7	-9.35	1	4	0	53	290.388	3	↓ MOL2 SDF SMILES Flexibase

49629012

Analogs

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Popular Name: (E)-3-[5-[methyl-[(3R)-tetrahydrothiophen-3-yl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[methyl-[(3R)-tetrahydr…

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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)	0.08	6.91	-47.17	0	5	-1	73	291.352	4	↓ MOL2 SDF SMILES Flexibase

49629013

Analogs

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Popular Name: (E)-3-[5-[methyl-[(3S)-tetrahydrothiophen-3-yl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[methyl-[(3S)-tetrahydr…

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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)	0.08	6.96	-46.79	0	5	-1	73	291.352	4	↓ MOL2 SDF SMILES Flexibase

49629423

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-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)	-0.70	4.59	-57.21	3	4	1	61	276.385	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.70	4.18	-8.31	2	4	0	59	275.377	2	↓ MOL2 SDF SMILES Flexibase

49629424

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-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)	-0.70	4.64	-58.87	3	4	1	61	276.385	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.70	4.23	-8.61	2	4	0	59	275.377	2	↓ MOL2 SDF SMILES Flexibase

49629741

Analogs

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Popular Name: 5-bromo-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-bromo-N-methyl-N-[(3R)-tetrahy…

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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)	1.27	5.68	-6.68	0	3	0	33	301.209	2	↓ MOL2 SDF SMILES Flexibase

49629744

Analogs

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Popular Name: 5-bromo-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-carboxamide 5-bromo-N-methyl-N-[(3S)-tetrahy…

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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)	1.27	5.73	-7.15	0	3	0	33	301.209	2	↓ MOL2 SDF SMILES Flexibase

44241473

Analogs

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Popular Name: 5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(3R)-tetrahydrothioph…

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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	5.44	-40.09	0	3	-1	29	232.379	2	↓ MOL2 SDF SMILES Flexibase

44241476

Analogs

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Popular Name: 5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(3S)-tetrahydrothioph…

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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	5.41	-40.07	0	3	-1	29	232.379	2	↓ MOL2 SDF SMILES Flexibase

44242144

Analogs

12976371

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Popular Name: 2-[[5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(3R)-tetrahydroth…

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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	6.79	-44.3	0	5	-1	69	290.415	5	↓ MOL2 SDF SMILES Flexibase

44242146

Analogs

12976371

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Popular Name: 2-[[5-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(3S)-tetrahydroth…

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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	6.76	-44.39	0	5	-1	69	290.415	5	↓ MOL2 SDF SMILES Flexibase

61701165

Analogs

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Popular Name: N1,4-dimethyl-N1-[(3R)-tetrahydrothiophen-3-yl]benzene-1,3-diamine N1,4-dimethyl-N1-[(3R)-tetrahydr…

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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	5.93	-3.97	2	2	0	29	222.357	2	↓ MOL2 SDF SMILES Flexibase

61701166

Analogs

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Popular Name: N1,4-dimethyl-N1-[(3S)-tetrahydrothiophen-3-yl]benzene-1,3-diamine N1,4-dimethyl-N1-[(3S)-tetrahydr…

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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	5.95	-4.08	2	2	0	29	222.357	2	↓ MOL2 SDF SMILES Flexibase

44243119

Analogs

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Popular Name: (3S)-3-[(5-bromo-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3S)-3-[(5-bromo-3-pyridyl)sulfo…

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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)	-1.13	2.1	-38.16	1	6	-1	99	366.238	4	↓ MOL2 SDF SMILES Flexibase

44243121

Analogs

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Popular Name: (3R)-3-[(5-bromo-3-pyridyl)sulfonylamino]tetrahydrothiophene-3-carboxylic (3R)-3-[(5-bromo-3-pyridyl)sulfo…

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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)	-1.13	2.58	-48.7	1	6	-1	99	366.238	4	↓ MOL2 SDF SMILES Flexibase

40233068

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.73	4.82	-10.58	1	3	0	41	281.402	2	↓ MOL2 SDF SMILES Flexibase

40233070

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.73	4.85	-10.6	1	3	0	41	281.402	2	↓ MOL2 SDF SMILES Flexibase

40233072

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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)	2.00	5.59	-8.59	1	3	0	41	295.429	3	↓ MOL2 SDF SMILES Flexibase

40233074

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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)	2.00	5.62	-8.75	1	3	0	41	295.429	3	↓ MOL2 SDF SMILES Flexibase

40234882

Analogs

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Popular Name: (3S)-3-(aminomethyl)-N-ethyl-N-(m-tolyl)tetrahydrothiophen-3-amine (3S)-3-(aminomethyl)-N-ethyl-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)	2.36	6.31	-49.56	3	2	1	31	251.419	4	↓ MOL2 SDF SMILES Flexibase

40234884

Analogs

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Popular Name: (3R)-3-(aminomethyl)-N-ethyl-N-(m-tolyl)tetrahydrothiophen-3-amine (3R)-3-(aminomethyl)-N-ethyl-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)	2.36	6.41	-48.59	3	2	1	31	251.419	4	↓ MOL2 SDF SMILES Flexibase

50652992

Analogs

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Popular Name: 4-amino-N-methyl-2-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide 4-amino-N-methyl-2-nitro-N-[(3R)…

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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)	0.86	4.35	-19.83	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50652994

Analogs

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Popular Name: 4-amino-N-methyl-2-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide 4-amino-N-methyl-2-nitro-N-[(3S)…

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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)	0.86	4.35	-22.26	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50652995

Analogs

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Popular Name: 2-amino-N-methyl-5-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide 2-amino-N-methyl-5-nitro-N-[(3R)…

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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

50652997

Analogs

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Popular Name: 2-amino-N-methyl-5-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide 2-amino-N-methyl-5-nitro-N-[(3S)…

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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

50652999

Analogs

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Popular Name: 2-amino-N-methyl-4-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide 2-amino-N-methyl-4-nitro-N-[(3R)…

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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)	1.26	3.88	-10.56	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50653001

Analogs

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Popular Name: 2-amino-N-methyl-4-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide 2-amino-N-methyl-4-nitro-N-[(3S)…

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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)	1.26	3.91	-10.88	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50653002

Analogs

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Popular Name: 5-amino-N-methyl-2-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide 5-amino-N-methyl-2-nitro-N-[(3R)…

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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)	0.86	4.38	-21.62	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50653004

Analogs

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Popular Name: 5-amino-N-methyl-2-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide 5-amino-N-methyl-2-nitro-N-[(3S)…

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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)	0.86	4.35	-23.94	2	7	0	109	317.392	4	↓ MOL2 SDF SMILES Flexibase

50653006

Analogs

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Popular Name: N-methyl-4-(methylamino)-2-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(methylamino)-2-nitro…

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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	5.4	-19.16	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653007

Analogs

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Popular Name: N-methyl-4-(methylamino)-2-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(methylamino)-2-nitro…

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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	5.33	-21.56	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653009

Analogs

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Popular Name: N-methyl-2-(methylamino)-5-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-2-(methylamino)-5-nitro…

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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	5.04	-13.56	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653011

Analogs

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Popular Name: N-methyl-2-(methylamino)-5-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-2-(methylamino)-5-nitro…

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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	4.94	-14.37	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653012

Analogs

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Popular Name: N-methyl-2-(methylamino)-4-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-2-(methylamino)-4-nitro…

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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	5.03	-10.07	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653014

Analogs

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Popular Name: N-methyl-2-(methylamino)-4-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-2-(methylamino)-4-nitro…

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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	4.93	-10.66	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653016

Analogs

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Popular Name: N-methyl-4-(methylamino)-3-nitro-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(methylamino)-3-nitro…

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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	4.58	-12.68	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653017

Analogs

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Popular Name: N-methyl-4-(methylamino)-3-nitro-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(methylamino)-3-nitro…

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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	4.53	-13.07	1	7	0	95	331.419	5	↓ MOL2 SDF SMILES Flexibase

50653019

Analogs

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Popular Name: 4-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide 4-(ethylamino)-N-methyl-N-[(3R)-…

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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	4.44	-8.89	1	4	0	49	300.449	5	↓ MOL2 SDF SMILES Flexibase

50653020

Analogs

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Popular Name: 4-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide 4-(ethylamino)-N-methyl-N-[(3S)-…

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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	4.4	-9.22	1	4	0	49	300.449	5	↓ MOL2 SDF SMILES Flexibase

50653022

Analogs

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Popular Name: N-methyl-4-(propylamino)-N-[(3R)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(propylamino)-N-[(3R)…

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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	5.19	-8.69	1	4	0	49	314.476	6	↓ MOL2 SDF SMILES Flexibase

50653024

Analogs

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Popular Name: N-methyl-4-(propylamino)-N-[(3S)-tetrahydrothiophen-3-yl]benzenesulfonamide N-methyl-4-(propylamino)-N-[(3S)…

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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	5.16	-9.07	1	4	0	49	314.476	6	↓ MOL2 SDF SMILES Flexibase

50653026

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(methylamino)-N-[(3R)…

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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)	1.02	2.69	-10.26	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653027

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide N-methyl-6-(methylamino)-N-[(3S)…

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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)	1.02	2.66	-10.46	1	5	0	62	287.41	4	↓ MOL2 SDF SMILES Flexibase

50653029

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-(ethylamino)-N-methyl-N-[(3R)-…

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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)	1.40	3.49	-9.77	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

50653031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]pyridine-3-sulfonamide 6-(ethylamino)-N-methyl-N-[(3S)-…

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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)	1.40	3.46	-10.04	1	5	0	62	301.437	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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