ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

68955232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-tetrahydropyran-4-yl-propane-1,3-diamine N-cyclopropyl-N-tetrahydropyran-…

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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)	0.16	3.38	-102.6	4	3	2	41	200.326	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.16	3	-31.65	3	3	1	40	199.318	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.16	1.07	-43.1	3	3	1	40	199.318	5	↓ MOL2 SDF SMILES Flexibase

68955256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-tetrahydropyran-4-yl-ethane-1,2-diamine N-cyclopropyl-N-tetrahydropyran-…

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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)	-0.11	0.27	-43.26	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.11	2.61	-111.86	4	3	2	41	186.299	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.11	2.22	-30.94	3	3	1	40	185.291	4	↓ MOL2 SDF SMILES Flexibase

68955318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(tetrahydropyran-4-yl)amino]propanenitrile 3-[cyclopropyl(tetrahydropyran-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)	0.54	5.75	-45.24	1	3	1	37	195.286	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	3.43	-5.84	0	3	0	36	194.278	4	↓ MOL2 SDF SMILES Flexibase

68955343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(tetrahydropyran-4-yl)amino]propanethioamide 3-[cyclopropyl(tetrahydropyran-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)	0.27	4.36	-40.6	3	3	1	40	229.369	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	2.05	-8.21	2	3	0	38	228.361	5	↓ MOL2 SDF SMILES Flexibase

68955443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(tetrahydropyran-4-yl)amino]-N'-hydroxy-propanamidine 3-[cyclopropyl(tetrahydropyran-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)	0.37	2.12	-37.64	4	5	1	72	228.316	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.37	0.08	-5.83	3	5	0	71	227.308	5	↓ MOL2 SDF SMILES Flexibase

68955460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(tetrahydropyran-4-yl)amino]propanamidine 3-[cyclopropyl(tetrahydropyran-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)	0.44	2.93	-100.52	5	4	2	65	213.325	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.44	0.62	-33.9	4	4	1	64	212.317	5	↓ MOL2 SDF SMILES Flexibase

68955709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[cyclopropyl(tetrahydropyran-4-yl)amino]propanoic 3-[cyclopropyl(tetrahydropyran-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)	0.60	5.91	-45.57	1	4	0	54	213.277	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.60	3.59	-47.7	0	4	-1	53	212.269	5	↓ MOL2 SDF SMILES Flexibase

68955724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(tetrahydropyran-4-yl)amino]acetic 2-[cyclopropyl(tetrahydropyran-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)	-0.58	5.18	-30.8	1	4	0	54	199.25	4	↓ MOL2 SDF SMILES Flexibase

68958091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(tetrahydropyran-4-yl)amino]ethanol 2-[cyclopropyl(tetrahydropyran-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)	0.45	2.28	-30.26	2	3	1	34	186.275	4	↓ MOL2 SDF SMILES Flexibase

69855582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-2-propyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopropyl-2-propyl-t…

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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)	2.26	5.32	-35.5	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69855584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-2-propyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopropyl-2-propyl-t…

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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)	2.26	5.5	-34.93	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69855585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-2-propyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopropyl-2-propyl-t…

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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)	2.26	5.49	-35.23	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69855586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopropyl-2-propyl-t…

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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)	2.26	5.32	-35.69	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69855588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopropyl-2-ethyl-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)	2.15	4.77	-35.61	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopropyl-2-ethyl-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)	2.15	4.79	-35.74	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopropyl-2-ethyl-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)	2.15	4.76	-35.95	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopropyl-2-ethyl-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)	2.15	4.83	-35.8	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopropyl-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-cyclopropyl-2,2-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)	1.65	4.11	-35.63	2	2	1	26	170.276	2	↓ MOL2 SDF SMILES Flexibase

69855595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopropyl-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-cyclopropyl-2,2-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)	1.65	4.12	-35.76	2	2	1	26	170.276	2	↓ MOL2 SDF SMILES Flexibase

69855597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-2-ethyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopropyl-2-ethyl-te…

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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	4.55	-35.45	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69855598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-2-ethyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopropyl-2-ethyl-te…

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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	4.73	-34.71	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69855599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-2-ethyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopropyl-2-ethyl-te…

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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	4.72	-35.02	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69855600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopropyl-2-ethyl-te…

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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	4.55	-35.62	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69855602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopropyl-2-methyl-t…

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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)	1.20	3.72	-35.26	2	2	1	26	156.249	2	↓ MOL2 SDF SMILES Flexibase

69855603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopropyl-2-methyl-t…

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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)	1.20	3.45	-35.04	2	2	1	26	156.249	2	↓ MOL2 SDF SMILES Flexibase

69855604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopropyl-2-methyl-t…

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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)	1.20	3.46	-35.25	2	2	1	26	156.249	2	↓ MOL2 SDF SMILES Flexibase

69855606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopropyl-2-methyl-t…

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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)	1.20	3.72	-35.44	2	2	1	26	156.249	2	↓ MOL2 SDF SMILES Flexibase

69855607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopropyl-2-isopropyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopropyl-2-isopropy…

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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	5.08	-35.68	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopropyl-2-isopropyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopropyl-2-isopropy…

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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	5.32	-35.01	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-2-isopropyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopropyl-2-isopropy…

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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	5.25	-35.11	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69855612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopropyl-2-isopropyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopropyl-2-isopropy…

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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	5.14	-35.87	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69890624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-propyl-tetrahydropyran-4-amine (2R,4R)-N-[(1R)-2,2-dimethylcycl…

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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	6.75	-35.43	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69890625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-propyl-tetrahydropyran-4-amine (2S,4R)-N-[(1R)-2,2-dimethylcycl…

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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	6.92	-34.7	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69890627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-propyl-tetrahydropyran-4-amine (2R,4S)-N-[(1R)-2,2-dimethylcycl…

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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	6.91	-34.95	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69890628

Analogs

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Popular Name: (2S,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-[(1R)-2,2-dimethylcycl…

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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	6.74	-35.58	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69890629

Analogs

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Popular Name: (2R,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	2.71	6.19	-35.58	2	2	1	26	212.357	3	↓ MOL2 SDF SMILES Flexibase

69890631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	2.71	6.21	-35.64	2	2	1	26	212.357	3	↓ MOL2 SDF SMILES Flexibase

69890632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-[(1R)-2,2-dimethylcycl…

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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)	2.71	6.18	-35.82	2	2	1	26	212.357	3	↓ MOL2 SDF SMILES Flexibase

69890634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-[(1R)-2,2-dimethylcycl…

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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)	2.71	6.24	-35.64	2	2	1	26	212.357	3	↓ MOL2 SDF SMILES Flexibase

69890635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-2,2-dimethylcyclopropyl]-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-[(1S)-2,2-dimethylcyclopr…

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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	5.52	-35.63	2	2	1	26	198.33	2	↓ MOL2 SDF SMILES Flexibase

69890637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-[(1R)-2,2-dimethylcyclopr…

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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	5.52	-35.47	2	2	1	26	198.33	2	↓ MOL2 SDF SMILES Flexibase

69890638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-2,2-dimethylcyclopropyl]-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-[(1S)-2,2-dimethylcyclopr…

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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	5.52	-35.48	2	2	1	26	198.33	2	↓ MOL2 SDF SMILES Flexibase

69890639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-[(1R)-2,2-dimethylcyclopr…

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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	5.52	-35.61	2	2	1	26	198.33	2	↓ MOL2 SDF SMILES Flexibase

69890640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-tetrahydropyran-4-amine (2R,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	2.27	5.97	-35.37	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69890642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-tetrahydropyran-4-amine (2S,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	2.27	6.14	-34.54	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69890643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-tetrahydropyran-4-amine (2R,4S)-N-[(1R)-2,2-dimethylcycl…

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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)	2.27	6.13	-34.72	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69890644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-[(1R)-2,2-dimethylcycl…

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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)	2.27	5.96	-35.54	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69890645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	1.76	5.15	-35.17	2	2	1	26	184.303	2	↓ MOL2 SDF SMILES Flexibase

69890646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(1R)-2,2-dimethylcyclopropyl]-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-[(1R)-2,2-dimethylcycl…

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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)	1.76	4.87	-34.99	2	2	1	26	184.303	2	↓ MOL2 SDF SMILES Flexibase

69890647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1R)-2,2-dimethylcyclopropyl]-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-[(1R)-2,2-dimethylcycl…

Find On: PubMed — Wikipedia — Google

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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)	1.76	4.87	-35.14	2	2	1	26	184.303	2	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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