ZINC 12

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ZINC Item

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48629227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dimethyl-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dimethyl-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	3.52	-4.65	1	2	0	29	212.314	2	↓ MOL2 SDF SMILES Flexibase

48629229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dimethyl-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dimethyl-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	3.02	-4.62	1	2	0	29	212.314	2	↓ MOL2 SDF SMILES Flexibase

48629231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dimethyl-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dimethyl-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	3.1	-4.86	1	2	0	29	212.314	2	↓ MOL2 SDF SMILES Flexibase

48629233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dimethyl-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dimethyl-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	3.64	-4.82	1	2	0	29	212.314	2	↓ MOL2 SDF SMILES Flexibase

48629349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dichloro-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dichloro-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	3.17	-2.75	1	2	0	29	253.15	2	↓ MOL2 SDF SMILES Flexibase

48629351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dichloro-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	2.76	-3.84	1	2	0	29	253.15	2	↓ MOL2 SDF SMILES Flexibase

48629353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dichloro-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dichloro-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	2.79	-3.73	1	2	0	29	253.15	2	↓ MOL2 SDF SMILES Flexibase

48629354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dichloro-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dichloro-3-thienyl)-[(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	3.29	-2.95	1	2	0	29	253.15	2	↓ MOL2 SDF SMILES Flexibase

48629356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dibromo-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dibromo-3-thienyl)-[(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)	3.07	3.37	-2.82	1	2	0	29	342.052	2	↓ MOL2 SDF SMILES Flexibase

48629358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dibromo-3-thienyl)-[(3R)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dibromo-3-thienyl)-[(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)	3.07	2.91	-3.84	1	2	0	29	342.052	2	↓ MOL2 SDF SMILES Flexibase

48629360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2,5-dibromo-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (R)-(2,5-dibromo-3-thienyl)-[(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)	3.07	2.97	-3.78	1	2	0	29	342.052	2	↓ MOL2 SDF SMILES Flexibase

48629362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2,5-dibromo-3-thienyl)-[(3S)-tetrahydrofuran-3-yl]methanol (S)-(2,5-dibromo-3-thienyl)-[(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)	3.07	3.49	-3.01	1	2	0	29	342.052	2	↓ MOL2 SDF SMILES Flexibase

48629817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-chloro-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-chloro-(2,5-dimethyl…

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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)	3.02	6.64	-4.9	0	1	0	9	230.76	2	↓ MOL2 SDF SMILES Flexibase

48629818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-chloro-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-chloro-(2,5-dimethyl…

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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)	3.02	6.65	-4.46	0	1	0	9	230.76	2	↓ MOL2 SDF SMILES Flexibase

48629819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-chloro-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-chloro-(2,5-dimethyl…

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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)	3.02	6.75	-4.12	0	1	0	9	230.76	2	↓ MOL2 SDF SMILES Flexibase

48629820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(S)-chloro-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-chloro-(2,5-dimethyl…

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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)	3.02	6.69	-4.89	0	1	0	9	230.76	2	↓ MOL2 SDF SMILES Flexibase

48629885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-chloro-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-chloro-(2,5-dichloro…

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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)	4.18	6.28	-2.57	0	1	0	9	271.596	2	↓ MOL2 SDF SMILES Flexibase

48629887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-chloro-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-chloro-(2,5-dichloro…

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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)	4.18	6.3	-2.24	0	1	0	9	271.596	2	↓ MOL2 SDF SMILES Flexibase

48629888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-chloro-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-chloro-(2,5-dichloro…

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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)	4.18	6.11	-3.12	0	1	0	9	271.596	2	↓ MOL2 SDF SMILES Flexibase

48629889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(S)-chloro-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-chloro-(2,5-dichloro…

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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)	4.18	6.34	-2.51	0	1	0	9	271.596	2	↓ MOL2 SDF SMILES Flexibase

48629890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-chloro-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-chloro-(2,5-dibromo-…

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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)	4.44	6.48	-2.49	0	1	0	9	360.498	2	↓ MOL2 SDF SMILES Flexibase

48629891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-chloro-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-chloro-(2,5-dibromo-…

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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)	4.44	6.5	-2.21	0	1	0	9	360.498	2	↓ MOL2 SDF SMILES Flexibase

48629892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-chloro-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-chloro-(2,5-dibromo-…

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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)	4.44	6.26	-3.05	0	1	0	9	360.498	2	↓ MOL2 SDF SMILES Flexibase

48629893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(S)-chloro-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-chloro-(2,5-dibromo-…

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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)	4.44	6.54	-2.48	0	1	0	9	360.498	2	↓ MOL2 SDF SMILES Flexibase

48630188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-bromo-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-bromo-(2,5-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.71	-4.56	0	1	0	9	275.211	2	↓ MOL2 SDF SMILES Flexibase

48630189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-bromo-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-bromo-(2,5-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.72	-4.1	0	1	0	9	275.211	2	↓ MOL2 SDF SMILES Flexibase

48630190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-bromo-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-bromo-(2,5-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.82	-3.87	0	1	0	9	275.211	2	↓ MOL2 SDF SMILES Flexibase

48630191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(S)-bromo-(2,5-dimethyl-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-bromo-(2,5-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.76	-4.62	0	1	0	9	275.211	2	↓ MOL2 SDF SMILES Flexibase

48630256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-bromo-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-bromo-(2,5-dichloro-…

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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)	4.31	6.35	-2.27	0	1	0	9	316.047	2	↓ MOL2 SDF SMILES Flexibase

48630257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-bromo-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-bromo-(2,5-dichloro-…

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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)	4.31	6.37	-2.03	0	1	0	9	316.047	2	↓ MOL2 SDF SMILES Flexibase

48630258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(R)-bromo-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-bromo-(2,5-dichloro-…

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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)	4.31	6.16	-2.89	0	1	0	9	316.047	2	↓ MOL2 SDF SMILES Flexibase

48630259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(S)-bromo-(2,5-dichloro-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-bromo-(2,5-dichloro-…

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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)	4.31	6.4	-2.32	0	1	0	9	316.047	2	↓ MOL2 SDF SMILES Flexibase

48630260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(R)-bromo-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(R)-bromo-(2,5-dibromo-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	6.54	-2.26	0	1	0	9	404.949	2	↓ MOL2 SDF SMILES Flexibase

48630261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(S)-bromo-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3R)-3-[(S)-bromo-(2,5-dibromo-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	6.57	-1.98	0	1	0	9	404.949	2	↓ MOL2 SDF SMILES Flexibase

48630262

Analogs

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Popular Name: (3S)-3-[(R)-bromo-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(R)-bromo-(2,5-dibromo-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	6.32	-2.81	0	1	0	9	404.949	2	↓ MOL2 SDF SMILES Flexibase

48630263

Analogs

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Popular Name: (3S)-3-[(S)-bromo-(2,5-dibromo-3-thienyl)methyl]tetrahydrofuran (3S)-3-[(S)-bromo-(2,5-dibromo-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	6.6	-2.31	0	1	0	9	404.949	2	↓ MOL2 SDF SMILES Flexibase

54663874

Analogs

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Popular Name: N-methyl-1-[(3S)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3S)-3-(3-thienylmet…

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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)	1.68	4.48	-46	2	2	1	26	212.338	4	↓ MOL2 SDF SMILES Flexibase

54663876

Analogs

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Popular Name: N-methyl-1-[(3R)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3R)-3-(3-thienylmet…

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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)	1.68	4.38	-44.11	2	2	1	26	212.338	4	↓ MOL2 SDF SMILES Flexibase

54664229

Analogs

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Popular Name: N-[[(3S)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-(3-thienylmethyl)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)	1.70	5.35	-45.02	2	2	1	26	226.365	5	↓ MOL2 SDF SMILES Flexibase

54664231

Analogs

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Popular Name: N-[[(3R)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-(3-thienylmethyl)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)	1.70	5.25	-42.98	2	2	1	26	226.365	5	↓ MOL2 SDF SMILES Flexibase

54664595

Analogs

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Popular Name: N-[[(3S)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-(3-thienylmethyl)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)	2.21	6.11	-46.05	2	2	1	26	240.392	6	↓ MOL2 SDF SMILES Flexibase

54664597

Analogs

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Popular Name: N-[[(3R)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-(3-thienylmethyl)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)	2.21	6	-43.93	2	2	1	26	240.392	6	↓ MOL2 SDF SMILES Flexibase

54664943

Analogs

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Popular Name: N-[[(3S)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-(3-thienylmethyl)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)	2.35	5.89	-43.43	2	2	1	26	240.392	5	↓ MOL2 SDF SMILES Flexibase

54664944

Analogs

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Popular Name: N-[[(3R)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-(3-thienylmethyl)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)	2.35	5.78	-41.63	2	2	1	26	240.392	5	↓ MOL2 SDF SMILES Flexibase

54666429

Analogs

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Popular Name: 2-methoxy-N-[[(3S)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine 2-methoxy-N-[[(3S)-3-(3-thienylm…

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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)	1.31	4.49	-44.77	2	3	1	35	256.391	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.31	3.67	-3.12	1	3	0	30	255.383	7	↓ MOL2 SDF SMILES Flexibase

54666431

Analogs

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Popular Name: 2-methoxy-N-[[(3R)-3-(3-thienylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine 2-methoxy-N-[[(3R)-3-(3-thienylm…

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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)	1.31	4.38	-43.4	2	3	1	35	256.391	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.31	4.99	-3.62	1	3	0	30	255.383	7	↓ 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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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
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