ZINC 12

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)	-0.88	4.15	-34.21	2	4	0	66	199.25	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.88	3.21	-43.57	1	4	-1	61	198.242	4	↓ MOL2 SDF SMILES Flexibase

68955768

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(tetrahydropyran-4-ylamino)acetic (2R)-2-cyclopropyl-2-(tetrahydro…

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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)	-0.88	4.31	-33.46	2	4	0	66	199.25	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.88	3.22	-49.24	1	4	-1	61	198.242	4	↓ MOL2 SDF SMILES Flexibase

69856577

Analogs

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Popular Name: (2R,4R)-N-(cyclopropylmethyl)-2-propyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclopropylmethyl)-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)	2.77	6.18	-38.58	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

69856582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclopropylmethyl)-2-propyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclopropylmethyl)-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)	2.77	6.35	-38.08	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

69856586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclopropylmethyl)-2-propyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclopropylmethyl)-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)	2.77	6.35	-37.85	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

69856589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclopropylmethyl)-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclopropylmethyl)-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)	2.77	6.17	-38.48	2	2	1	26	198.33	5	↓ MOL2 SDF SMILES Flexibase

69856596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclopropylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclopropylmethyl)-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)	2.65	5.62	-38.69	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856599

Analogs

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Popular Name: (2S,4R)-N-(cyclopropylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclopropylmethyl)-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)	2.65	5.64	-38.91	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclopropylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclopropylmethyl)-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)	2.65	5.6	-38.82	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856606

Analogs

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Popular Name: (2S,4S)-N-(cyclopropylmethyl)-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclopropylmethyl)-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)	2.65	5.66	-38.63	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856607

Analogs

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Popular Name: (4R)-N-(cyclopropylmethyl)-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-(cyclopropylmethyl)-2,2-d…

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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	4.95	-38.71	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69856609

Analogs

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Popular Name: (4S)-N-(cyclopropylmethyl)-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-(cyclopropylmethyl)-2,2-d…

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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	4.95	-38.61	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69856611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclopropylmethyl)-2-ethyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclopropylmethyl)-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)	2.21	5.4	-38.56	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69856613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclopropylmethyl)-2-ethyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclopropylmethyl)-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)	2.21	5.59	-37.9	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69856616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclopropylmethyl)-2-ethyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclopropylmethyl)-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)	2.21	5.58	-37.71	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69856620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclopropylmethyl)-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclopropylmethyl)-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)	2.21	5.39	-38.41	2	2	1	26	184.303	4	↓ MOL2 SDF SMILES Flexibase

69856623

Analogs

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Popular Name: (2R,4R)-N-(cyclopropylmethyl)-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclopropylmethyl)-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)	1.70	4.58	-38.34	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69856626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclopropylmethyl)-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclopropylmethyl)-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)	1.70	4.3	-38.14	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69856631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclopropylmethyl)-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclopropylmethyl)-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)	1.70	4.29	-37.97	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69856634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclopropylmethyl)-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclopropylmethyl)-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)	1.70	4.58	-38.36	2	2	1	26	170.276	3	↓ MOL2 SDF SMILES Flexibase

69856635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclopropylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2S,4R)-N-(cyclopropylmethyl)-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)	2.45	5.93	-38.85	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856640

Analogs

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Popular Name: (2R,4R)-N-(cyclopropylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2R,4R)-N-(cyclopropylmethyl)-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)	2.45	6.18	-38.18	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856643

Analogs

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Popular Name: (2S,4S)-N-(cyclopropylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2S,4S)-N-(cyclopropylmethyl)-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)	2.45	6.11	-37.93	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69856645

Analogs

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Popular Name: (2R,4S)-N-(cyclopropylmethyl)-2-isopropyl-tetrahydropyran-4-amine (2R,4S)-N-(cyclopropylmethyl)-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)	2.45	5.99	-38.7	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69861204

Analogs

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

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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	6.5	-36.47	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

69861207

Analogs

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

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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	6.66	-35.58	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

69861208

Analogs

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

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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	6.66	-35.72	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

69861211

Analogs

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Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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	6.48	-36.43	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

69861215

Analogs

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

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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)	2.98	5.94	-36.53	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861217

Analogs

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

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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)	2.98	5.96	-36.66	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861220

Analogs

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

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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)	2.98	5.91	-36.74	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861221

Analogs

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Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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)	2.98	5.97	-36.55	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861226

Analogs

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

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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)	2.48	5.27	-36.58	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69861235

Analogs

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

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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)	2.48	5.35	-36.25	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69861238

Analogs

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

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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)	2.48	5.26	-36.53	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69861239

Analogs

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

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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)	2.48	5.39	-36.19	2	2	1	26	198.33	3	↓ MOL2 SDF SMILES Flexibase

69861242

Analogs

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

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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)	2.54	5.72	-36.36	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69861245

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.54	5.89	-35.3	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69861248

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.54	5.89	-35.53	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69861249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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)	2.54	5.71	-36.36	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

69861251

Analogs

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

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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)	2.04	4.91	-36.17	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69861254

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.04	4.62	-36.03	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69861256

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.04	4.61	-36.02	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69861257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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)	2.04	4.98	-36	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

69861262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[(1S)-1-cyclopropylethyl]-2-isopropyl-tetrahydropyran-4-amine (2S,4R)-N-[(1S)-1-cyclopropyleth…

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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)	2.78	6.26	-36.66	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(1S)-1-cyclopropylethyl]-2-isopropyl-tetrahydropyran-4-amine (2R,4R)-N-[(1S)-1-cyclopropyleth…

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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)	2.78	6.5	-35.64	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-2-isopropyl-tetrahydropyran-4-amine (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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)	2.78	6.41	-35.61	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69861284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1S)-1-cyclopropylethyl]-2-isopropyl-tetrahydropyran-4-amine (2R,4S)-N-[(1S)-1-cyclopropyleth…

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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)	2.78	6.3	-36.62	2	2	1	26	212.357	4	↓ MOL2 SDF SMILES Flexibase

69892289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(aminomethyl)-N-(cyclopropylmethyl)-2-ethyl-N-methyl-tetrahydropyran-4-amine (2R,4S)-4-(aminomethyl)-N-(cyclo…

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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)	1.33	3.87	-45.78	3	3	1	40	227.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	5.33	-29.33	3	3	1	40	227.372	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.33	5.38	-122.81	4	3	2	41	228.38	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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