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ZINC Item

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61328041

Analogs

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Popular Name: (4R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(1,5-dimethylpyra…

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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)	1.74	7.75	-40.54	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61328042

Analogs

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Popular Name: (4R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(1,5-dimethylpyra…

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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)	1.74	7.15	-40.81	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61328044

Analogs

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Popular Name: (4S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(1,5-dimethylpyra…

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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)	1.74	7.18	-40.88	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61328047

Analogs

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Popular Name: (4S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(1,5-dimethylpyra…

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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)	1.74	7.75	-40.54	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61328522

Analogs

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Popular Name: (4R)-N-(1H-pyrazol-4-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(1H-pyrazol-4-ylmethyl)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	5.45	-44.01	3	3	1	45	234.348	3	↓ MOL2 SDF SMILES Flexibase

61328523

Analogs

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Popular Name: (4S)-N-(1H-pyrazol-4-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(1H-pyrazol-4-ylmethyl)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	5.44	-44.36	3	3	1	45	234.348	3	↓ MOL2 SDF SMILES Flexibase

61328852

Analogs

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Popular Name: (4R)-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1-methylpyrazol-4-yl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	6.75	-44.28	2	3	1	34	248.375	3	↓ MOL2 SDF SMILES Flexibase

61328854

Analogs

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Popular Name: (4S)-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1-methylpyrazol-4-yl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.96	6.75	-43.97	2	3	1	34	248.375	3	↓ MOL2 SDF SMILES Flexibase

61359927

Analogs

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Popular Name: (4R)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1,3,5-trimethylpyrazol-…

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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	7.67	-43.96	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61359928

Analogs

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Popular Name: (4S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1,3,5-trimethylpyrazol-…

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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	7.67	-44.26	2	3	1	34	276.429	3	↓ MOL2 SDF SMILES Flexibase

61360039

Analogs

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Popular Name: (4R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(3,5-dimethyl-1H-pyrazol…

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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)	1.34	6.46	-44.18	3	3	1	45	262.402	3	↓ MOL2 SDF SMILES Flexibase

61360040

Analogs

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Popular Name: (4S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(3,5-dimethyl-1H-pyrazol…

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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)	1.34	6.46	-43.9	3	3	1	45	262.402	3	↓ MOL2 SDF SMILES Flexibase

61360191

Analogs

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Popular Name: (4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1-tert-butylpyrazol-4-y…

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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)	2.15	8.76	-43.21	2	3	1	34	290.456	4	↓ MOL2 SDF SMILES Flexibase

61360192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1-tert-butylpyrazol-4-y…

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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)	2.15	8.76	-42.9	2	3	1	34	290.456	4	↓ MOL2 SDF SMILES Flexibase

61360203

Analogs

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Popular Name: (4R)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(3-isopropyl-1-methyl-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)	2.24	8.59	-44.67	2	3	1	34	290.456	4	↓ MOL2 SDF SMILES Flexibase

61360204

Analogs

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Popular Name: (4S)-N-[(3-isopropyl-1-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(3-isopropyl-1-methyl-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)	2.24	8.58	-44.8	2	3	1	34	290.456	4	↓ MOL2 SDF SMILES Flexibase

61360354

Analogs

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Popular Name: (4R)-N-[(1R)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(1-ethyl-3,5-dime…

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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)	2.34	9.17	-39.05	2	3	1	34	304.483	4	↓ MOL2 SDF SMILES Flexibase

61360355

Analogs

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Popular Name: (4R)-N-[(1S)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(1-ethyl-3,5-dime…

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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)	2.34	8.54	-39.15	2	3	1	34	304.483	4	↓ MOL2 SDF SMILES Flexibase

61360356

Analogs

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Popular Name: (4S)-N-[(1R)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(1-ethyl-3,5-dime…

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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)	2.34	8.99	-38.22	2	3	1	34	304.483	4	↓ MOL2 SDF SMILES Flexibase

61360357

Analogs

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Popular Name: (4S)-N-[(1S)-1-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(1-ethyl-3,5-dime…

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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)	2.34	9.16	-39.24	2	3	1	34	304.483	4	↓ MOL2 SDF SMILES Flexibase

61360374

Analogs

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Popular Name: (4R)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(1,3,5-trimethylp…

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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	8.27	-39.56	2	3	1	34	290.456	3	↓ MOL2 SDF SMILES Flexibase

61360375

Analogs

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Popular Name: (4R)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(1,3,5-trimethylp…

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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	8.06	-38.49	2	3	1	34	290.456	3	↓ MOL2 SDF SMILES Flexibase

61360376

Analogs

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Popular Name: (4S)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(1,3,5-trimethylp…

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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	7.68	-39.54	2	3	1	34	290.456	3	↓ MOL2 SDF SMILES Flexibase

61360377

Analogs

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Popular Name: (4S)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(1,3,5-trimethylp…

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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	8.3	-39.28	2	3	1	34	290.456	3	↓ MOL2 SDF SMILES Flexibase

61360380

Analogs

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Popular Name: (4R)-N-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(1-ethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	8.14	-40.61	2	3	1	34	276.429	4	↓ MOL2 SDF SMILES Flexibase

61360381

Analogs

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Popular Name: (4R)-N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(1-ethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	7.54	-41.11	2	3	1	34	276.429	4	↓ MOL2 SDF SMILES Flexibase

61360382

Analogs

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Popular Name: (4S)-N-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(1-ethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	7.57	-40.99	2	3	1	34	276.429	4	↓ MOL2 SDF SMILES Flexibase

61360383

Analogs

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Popular Name: (4S)-N-[(1S)-1-(1-ethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(1-ethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	8.15	-40.73	2	3	1	34	276.429	4	↓ MOL2 SDF SMILES Flexibase

61360384

Analogs

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Popular Name: (4R)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(1-methylpyrazol-…

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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)	1.52	6.68	-41.3	2	3	1	34	262.402	3	↓ MOL2 SDF SMILES Flexibase

61360385

Analogs

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Popular Name: (4R)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(1-methylpyrazol-…

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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)	1.52	7.28	-40.87	2	3	1	34	262.402	3	↓ MOL2 SDF SMILES Flexibase

61360386

Analogs

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Popular Name: (4S)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(1-methylpyrazol-…

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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)	1.52	7.29	-40.91	2	3	1	34	262.402	3	↓ MOL2 SDF SMILES Flexibase

61360387

Analogs

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Popular Name: (4S)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(1-methylpyrazol-…

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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)	1.52	6.7	-41.37	2	3	1	34	262.402	3	↓ MOL2 SDF SMILES Flexibase

61362140

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Popular Name: (4R)-N-[(1-ethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1-ethylpyrazol-4-yl)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)	1.34	7.61	-44.15	2	3	1	34	262.402	4	↓ MOL2 SDF SMILES Flexibase

61362141

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Popular Name: (4S)-N-[(1-ethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1-ethylpyrazol-4-yl)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)	1.34	7.61	-43.86	2	3	1	34	262.402	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 210722
filter.purchasability = annotated
page.format = targets
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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 = 210722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    window.zinc.embed('zinc-link', {
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    });
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