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ZINC Item

Suppliers, Protomers, & Similar Substances

35630603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2S)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]methanamine [2-[[(2S)-tetrahydrofuran-2-yl]m…

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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)	2.66	5.38	-38.88	3	3	1	46	258.341	4	↓ MOL2 SDF SMILES Flexibase

35630604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2R)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]methanamine [2-[[(2R)-tetrahydrofuran-2-yl]m…

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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)	2.66	5.3	-40.85	3	3	1	46	258.341	4	↓ MOL2 SDF SMILES Flexibase

35630643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-methyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	7.25	-35.33	2	3	1	35	272.368	5	↓ MOL2 SDF SMILES Flexibase

35630644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-methyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	7.18	-33.86	2	3	1	35	272.368	5	↓ MOL2 SDF SMILES Flexibase

35630670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-ethyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-ethy…

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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)	3.42	8.11	-34.05	2	3	1	35	286.395	6	↓ MOL2 SDF SMILES Flexibase

35630671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-ethyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-ethy…

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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)	3.42	8.04	-32.76	2	3	1	35	286.395	6	↓ MOL2 SDF SMILES Flexibase

35630818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[1-(chloromethyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2S)-2-[[1-(chloromethyl)-2-naph…

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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)	4.06	8.67	-7.99	0	2	0	18	276.763	4	↓ MOL2 SDF SMILES Flexibase

35630819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[1-(chloromethyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2R)-2-[[1-(chloromethyl)-2-naph…

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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)	4.06	8.59	-7.48	0	2	0	18	276.763	4	↓ MOL2 SDF SMILES Flexibase

35630951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanol, 2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanol, 2-[(tetra…

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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)	2.82	4.71	-10.42	1	3	0	39	258.317	4	↓ MOL2 SDF SMILES Flexibase

35630952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanol, 2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanol, 2-[(tetra…

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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)	2.82	4.63	-10.04	1	3	0	39	258.317	4	↓ MOL2 SDF SMILES Flexibase

35630973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[1-(bromomethyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2S)-2-[[1-(bromomethyl)-2-napht…

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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)	4.19	8.78	-7.54	0	2	0	18	321.214	4	↓ MOL2 SDF SMILES Flexibase

35630974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[1-(bromomethyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2R)-2-[[1-(bromomethyl)-2-napht…

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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)	4.19	8.7	-7.16	0	2	0	18	321.214	4	↓ MOL2 SDF SMILES Flexibase

66181888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-propyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-prop…

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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)	3.92	8.86	-34.59	2	3	1	35	300.422	7	↓ MOL2 SDF SMILES Flexibase

66181889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-propyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-prop…

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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)	3.92	8.79	-33.31	2	3	1	35	300.422	7	↓ MOL2 SDF SMILES Flexibase

66182029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-butyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-buty…

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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)	4.48	9.64	-35.36	2	3	1	35	314.449	8	↓ MOL2 SDF SMILES Flexibase

66182030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-butyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-buty…

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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)	4.48	9.57	-34.04	2	3	1	35	314.449	8	↓ MOL2 SDF SMILES Flexibase

66182191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-(2,2-dimethylpropyl)-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-(2,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	10.2	-33.68	2	3	1	35	328.476	7	↓ MOL2 SDF SMILES Flexibase

66182192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-(2,2-dimethylpropyl)-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-(2,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	10.12	-32.46	2	3	1	35	328.476	7	↓ MOL2 SDF SMILES Flexibase

66182373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-hexyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-hexy…

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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)	5.49	11.21	-35.95	2	3	1	35	342.503	10	↓ MOL2 SDF SMILES Flexibase

66182374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthalenemethanamine, N-hexyl-2-[(tetrahydro-2-furanyl)methoxy]- 1-naphthalenemethanamine, N-hexy…

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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)	5.49	11.13	-34.57	2	3	1	35	342.503	10	↓ MOL2 SDF SMILES Flexibase

37324352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2S)-tetrahydrofuran-2-yl]methoxy]naphthalen-2-ol 3-[[(2S)-tetrahydrofuran-2-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)	2.83	5.36	-9.13	1	3	0	39	244.29	3	↓ MOL2 SDF SMILES Flexibase

37324353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2R)-tetrahydrofuran-2-yl]methoxy]naphthalen-2-ol 3-[[(2R)-tetrahydrofuran-2-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)	2.83	5.29	-8.59	1	3	0	39	244.29	3	↓ MOL2 SDF SMILES Flexibase

37721532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(2S)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]ethanamine 2-[2-[[(2S)-tetrahydrofuran-2-yl…

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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)	2.46	6.17	-42.95	3	3	1	46	272.368	5	↓ MOL2 SDF SMILES Flexibase

37721533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(2R)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]ethanamine 2-[2-[[(2R)-tetrahydrofuran-2-yl…

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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)	2.46	6.1	-44.64	3	3	1	46	272.368	5	↓ MOL2 SDF SMILES Flexibase

37727478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[[(2S)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]propan-2-amine (2S)-1-[2-[[(2S)-tetrahydrofuran…

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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)	2.87	7.04	-38.65	3	3	1	46	286.395	5	↓ MOL2 SDF SMILES Flexibase

37727479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[[(2S)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]propan-2-amine (2R)-1-[2-[[(2S)-tetrahydrofuran…

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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)	2.87	7.16	-37.07	3	3	1	46	286.395	5	↓ MOL2 SDF SMILES Flexibase

37727480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[[(2R)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]propan-2-amine (2S)-1-[2-[[(2R)-tetrahydrofuran…

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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)	2.87	6.95	-37.23	3	3	1	46	286.395	5	↓ MOL2 SDF SMILES Flexibase

37727481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[[(2R)-tetrahydrofuran-2-yl]methoxy]-1-naphthyl]propan-2-amine (2R)-1-[2-[[(2R)-tetrahydrofuran…

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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)	2.87	7.07	-32.44	3	3	1	46	286.395	5	↓ MOL2 SDF SMILES Flexibase

42477778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[[(2S)-tetrahydrofuran-2-yl]methoxy]-2-naphthyl]prop-2-yn-1-ol 3-[6-[[(2S)-tetrahydrofuran-2-yl…

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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)	3.10	6.25	-11.29	1	3	0	39	282.339	3	↓ MOL2 SDF SMILES Flexibase

42477780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[[(2R)-tetrahydrofuran-2-yl]methoxy]-2-naphthyl]prop-2-yn-1-ol 3-[6-[[(2R)-tetrahydrofuran-2-yl…

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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)	3.10	6.17	-11.32	1	3	0	39	282.339	3	↓ MOL2 SDF SMILES Flexibase

42477890

Analogs

42477879

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[[(2S)-tetrahydrofuran-2-yl]methoxy]-2-naphthyl]prop-2-yn-1-amine 3-[6-[[(2S)-tetrahydrofuran-2-yl…

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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)	2.53	6.96	-52.49	3	3	1	46	282.363	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	6.55	-9.18	2	3	0	44	281.355	3	↓ MOL2 SDF SMILES Flexibase

42477892

Analogs

42477879

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[6-[[(2R)-tetrahydrofuran-2-yl]methoxy]-2-naphthyl]prop-2-yn-1-amine 3-[6-[[(2R)-tetrahydrofuran-2-yl…

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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)	2.53	6.88	-52.36	3	3	1	46	282.363	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.53	6.47	-9.15	2	3	0	44	281.355	3	↓ MOL2 SDF SMILES Flexibase

42477946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[6-(3-chloroprop-1-ynyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2S)-2-[[6-(3-chloroprop-1-ynyl)…

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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)	4.33	10.2	-8.98	0	2	0	18	300.785	3	↓ MOL2 SDF SMILES Flexibase

42477948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[6-(3-chloroprop-1-ynyl)-2-naphthyl]oxymethyl]tetrahydrofuran (2R)-2-[[6-(3-chloroprop-1-ynyl)…

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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)	4.33	10.12	-8.97	0	2	0	18	300.785	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 19638
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 = 19638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=19638&filter.purchasability=annotated

Embed Link to Results

<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": "19638"        

    });
</script>

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