ZINC 12

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ZINC Item

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61330450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-amino-2-methyl-N-[(4R)-4,5,6,7…

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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)	1.00	4.35	-10.85	3	4	0	68	287.388	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	4.75	-34.94	4	4	1	69	288.396	2	↓ MOL2 SDF SMILES Flexibase

61330454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-amino-2-methyl-N-[(4S)-4,5,6,7…

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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)	1.00	4.16	-10.9	3	4	0	68	287.388	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	4.57	-35.15	4	4	1	69	288.396	2	↓ MOL2 SDF SMILES Flexibase

61364969

Analogs

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Popular Name: 2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-chloro-N-[(4R)-4,5,6,7-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)	1.95	6.27	-13.78	1	3	0	42	292.791	2	↓ MOL2 SDF SMILES Flexibase

61364971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-chloro-N-[(4S)-4,5,6,7-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)	1.95	6.1	-13.55	1	3	0	42	292.791	2	↓ MOL2 SDF SMILES Flexibase

61364972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-chloro-N-[(4R)-4,5,6,7-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)	2.00	6.23	-8.58	1	3	0	42	292.791	2	↓ MOL2 SDF SMILES Flexibase

61364973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-chloro-N-[(4S)-4,5,6,7-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)	2.00	6.07	-8.69	1	3	0	42	292.791	2	↓ MOL2 SDF SMILES Flexibase

61364974

Analogs

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Popular Name: 5,6-dichloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5,6-dichloro-N-[(4R)-4,5,6,7-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)	2.61	6.69	-8.39	1	3	0	42	327.236	2	↓ MOL2 SDF SMILES Flexibase

61364975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5,6-dichloro-N-[(4S)-4,5,6,7-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)	2.61	6.53	-8.42	1	3	0	42	327.236	2	↓ MOL2 SDF SMILES Flexibase

61365008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-chloro-N-[(4R)-4,5,6,7…

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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	6.85	-9.34	1	3	0	42	371.687	2	↓ MOL2 SDF SMILES Flexibase

61365010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-chloro-N-[(4S)-4,5,6,7…

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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	6.69	-9.33	1	3	0	42	371.687	2	↓ MOL2 SDF SMILES Flexibase

61367753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-N-[(4R)-4,5,6,7-tetrahyd…

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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)	1.94	6.41	-8.67	1	3	0	42	337.242	2	↓ MOL2 SDF SMILES Flexibase

61367754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-N-[(4S)-4,5,6,7-tetrahyd…

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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)	1.94	6.25	-8.66	1	3	0	42	337.242	2	↓ MOL2 SDF SMILES Flexibase

61371299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]carbamoyl]pyridine-2-carboxylic 5-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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)	0.63	6.37	-50.31	1	5	-1	82	301.347	3	↓ MOL2 SDF SMILES Flexibase

61371302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]carbamoyl]pyridine-2-carboxylic 5-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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)	0.63	6.2	-50.8	1	5	-1	82	301.347	3	↓ MOL2 SDF SMILES Flexibase

61373591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-amino-5-bromo-N-[(4R)-4,5,6,7-…

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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	5.54	-7.12	3	4	0	68	352.257	2	↓ MOL2 SDF SMILES Flexibase

61373593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-amino-5-bromo-N-[(4S)-4,5,6,7-…

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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	5.37	-7.05	3	4	0	68	352.257	2	↓ MOL2 SDF SMILES Flexibase

61373626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-(methylamino)-N-[(4R)-4,5,6,7-…

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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)	1.18	5.47	-10.29	2	4	0	54	287.388	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.18	5.95	-39.04	3	4	1	55	288.396	3	↓ MOL2 SDF SMILES Flexibase

61373628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-(methylamino)-N-[(4S)-4,5,6,7-…

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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)	1.18	5.3	-10.35	2	4	0	54	287.388	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.18	5.77	-38.81	3	4	1	55	288.396	3	↓ MOL2 SDF SMILES Flexibase

61373636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-chloro-6-(methylamino)-N-[(4R)…

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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	6.32	-9.76	2	4	0	54	321.833	3	↓ MOL2 SDF SMILES Flexibase

61373640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-chloro-6-(methylamino)-N-[(4S)…

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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	6.16	-9.73	2	4	0	54	321.833	3	↓ MOL2 SDF SMILES Flexibase

61373673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-amino-N-[(4R)-4,5,6,7-tetrahyd…

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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)	0.81	4.55	-10.4	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

61373674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-amino-N-[(4S)-4,5,6,7-tetrahyd…

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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)	0.81	4.39	-10.43	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

61373677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-amino-5-chloro-N-[(4R)-4,5,6,7…

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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)	1.41	5.11	-9.72	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

61373680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-5-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-amino-5-chloro-N-[(4S)-4,5,6,7…

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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)	1.41	4.95	-9.68	3	4	0	68	307.806	2	↓ MOL2 SDF SMILES Flexibase

61373683

Analogs

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Popular Name: 5-bromo-2-(methylamino)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-(methylamino)-N-[(4R)-…

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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)	2.08	6.74	-7.39	2	4	0	54	366.284	3	↓ MOL2 SDF SMILES Flexibase

61373685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(methylamino)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-(methylamino)-N-[(4S)-…

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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)	2.08	6.56	-7.48	2	4	0	54	366.284	3	↓ MOL2 SDF SMILES Flexibase

61374213

Analogs

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Popular Name: 2-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-hydrazino-N-[(4R)-4,5,6,7-tetr…

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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)	0.52	4.77	-11.01	4	5	0	80	288.376	3	↓ MOL2 SDF SMILES Flexibase

61374217

Analogs

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Popular Name: 2-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 2-hydrazino-N-[(4S)-4,5,6,7-tetr…

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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)	0.52	4.59	-10.87	4	5	0	80	288.376	3	↓ MOL2 SDF SMILES Flexibase

61374223

Analogs

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Popular Name: 6-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-hydrazino-N-[(4R)-4,5,6,7-tetr…

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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)	0.57	4.46	-11.15	4	5	0	80	288.376	3	↓ MOL2 SDF SMILES Flexibase

61374225

Analogs

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Popular Name: 6-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 6-hydrazino-N-[(4S)-4,5,6,7-tetr…

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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)	0.57	4.29	-11.28	4	5	0	80	288.376	3	↓ MOL2 SDF SMILES Flexibase

61374227

Analogs

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Popular Name: 5-chloro-6-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-chloro-6-hydrazino-N-[(4R)-4,5…

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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)	1.17	4.99	-10.22	4	5	0	80	322.821	3	↓ MOL2 SDF SMILES Flexibase

61374234

Analogs

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Popular Name: 5-chloro-6-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-chloro-6-hydrazino-N-[(4S)-4,5…

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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)	1.17	4.83	-10.27	4	5	0	80	322.821	3	↓ MOL2 SDF SMILES Flexibase

61374247

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Popular Name: 5-bromo-2-hydrazino-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-hydrazino-N-[(4R)-4,5,…

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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	5.35	-8.13	4	5	0	80	367.272	3	↓ MOL2 SDF SMILES Flexibase

61374250

Analogs

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Popular Name: 5-bromo-2-hydrazino-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3-carboxamide 5-bromo-2-hydrazino-N-[(4S)-4,5,…

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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	5.18	-8.09	4	5	0	80	367.272	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 210825
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 = 210825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=210825&filter.purchasability=annotated

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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', {
        "ring.id": "210825"        

    });
</script>

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