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ZINC Item

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36755643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-6-chloro-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-tert-butyl-6-chloro-2-[[(2S)-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)	3.64	6.42	-5.82	0	3	0	35	254.761	3	↓ MOL2 SDF SMILES Flexibase

36755644

Analogs

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Popular Name: 4-tert-butyl-6-chloro-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-tert-butyl-6-chloro-2-[[(2R)-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)	3.64	6.41	-6.25	0	3	0	35	254.761	3	↓ MOL2 SDF SMILES Flexibase

36755676

Analogs

38004034
38004035

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Popular Name: 4-chloro-6-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-chloro-6-ethyl-2-[[(2S)-tetrah…

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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	5.23	-6.18	0	3	0	35	226.707	3	↓ MOL2 SDF SMILES Flexibase

36755677

Analogs

38004034
38004035

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Popular Name: 4-chloro-6-ethyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-chloro-6-ethyl-2-[[(2R)-tetrah…

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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	5.23	-6.7	0	3	0	35	226.707	3	↓ MOL2 SDF SMILES Flexibase

36755712

Analogs

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Popular Name: 4-chloro-6-isopropyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-chloro-6-isopropyl-2-[[(2S)-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)	2.97	5.66	-5.96	0	3	0	35	240.734	3	↓ MOL2 SDF SMILES Flexibase

36755713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-isopropyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-chloro-6-isopropyl-2-[[(2R)-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)	2.97	5.65	-6.42	0	3	0	35	240.734	3	↓ MOL2 SDF SMILES Flexibase

54791004

Analogs

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carbaldehyde 2-[[(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)	0.70	3.12	-15	0	4	0	52	192.218	3	↓ MOL2 SDF SMILES Flexibase

54791005

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carbaldehyde 2-[[(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)	0.70	3.12	-13.94	0	4	0	52	192.218	3	↓ MOL2 SDF SMILES Flexibase

54791090

Analogs

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Popular Name: [2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]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)	0.09	1.38	-46.69	3	4	1	63	194.258	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.09	0.98	-7.13	2	4	0	61	193.25	3	↓ MOL2 SDF SMILES Flexibase

54791091

Analogs

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Popular Name: [2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]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)	0.09	1.37	-49.11	3	4	1	63	194.258	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.09	0.97	-7.16	2	4	0	61	193.25	3	↓ MOL2 SDF SMILES Flexibase

54791183

Analogs

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Popular Name: N-methyl-1-[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine N-methyl-1-[2-[[(2S)-tetrahydrof…

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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)	0.47	3.25	-41.29	2	4	1	52	208.285	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.47	1.81	-6.81	1	4	0	47	207.277	4	↓ MOL2 SDF SMILES Flexibase

54791184

Analogs

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Popular Name: N-methyl-1-[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine N-methyl-1-[2-[[(2R)-tetrahydrof…

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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)	0.47	3.25	-43.56	2	4	1	52	208.285	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.47	1.8	-6.72	1	4	0	47	207.277	4	↓ MOL2 SDF SMILES Flexibase

54791325

Analogs

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Popular Name: N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine N-[[2-[[(2S)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	4.11	-40.34	2	4	1	52	222.312	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	2.74	-6.58	1	4	0	47	221.304	5	↓ MOL2 SDF SMILES Flexibase

54791327

Analogs

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Popular Name: N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine N-[[2-[[(2R)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.84	4.11	-42.62	2	4	1	52	222.312	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	2.74	-6.57	1	4	0	47	221.304	5	↓ MOL2 SDF SMILES Flexibase

54791536

Analogs

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Popular Name: N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine N-[[2-[[(2S)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.35	4.86	-41.07	2	4	1	52	236.339	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	3.51	-6.43	1	4	0	47	235.331	6	↓ MOL2 SDF SMILES Flexibase

54791538

Analogs

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Popular Name: N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine N-[[2-[[(2R)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.35	4.86	-43.39	2	4	1	52	236.339	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	3.5	-6.43	1	4	0	47	235.331	6	↓ MOL2 SDF SMILES Flexibase

54791743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine N-[[2-[[(2S)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	4.64	-38.3	2	4	1	52	236.339	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.14	3.41	-6.37	1	4	0	47	235.331	5	↓ MOL2 SDF SMILES Flexibase

54791746

Analogs

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Popular Name: N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine N-[[2-[[(2R)-tetrahydrofuran-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	4.64	-40.6	2	4	1	52	236.339	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.14	3.41	-6.33	1	4	0	47	235.331	5	↓ MOL2 SDF SMILES Flexibase

54792162

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-[[(2S)-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)	1.65	5.07	-36.78	2	4	1	52	250.366	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	3.83	-6.23	1	4	0	47	249.358	5	↓ MOL2 SDF SMILES Flexibase

54792165

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[2-[[(2R)-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)	1.65	5.07	-38.94	2	4	1	52	250.366	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	3.83	-6.21	1	4	0	47	249.358	5	↓ MOL2 SDF SMILES Flexibase

54792373

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-[[(2S)-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)	1.59	5.56	-41.15	2	4	1	52	250.366	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	4.34	-6.23	1	4	0	47	249.358	6	↓ MOL2 SDF SMILES Flexibase

54792375

Analogs

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Popular Name: 2-methyl-N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[2-[[(2R)-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)	1.59	5.55	-43.51	2	4	1	52	250.366	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	4.33	-6.24	1	4	0	47	249.358	6	↓ MOL2 SDF SMILES Flexibase

54792591

Analogs

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Popular Name: 2-methoxy-N-[[2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-[[(2S)-tetrahydr…

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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	1.9	-8.29	1	5	0	56	251.33	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.45	3.25	-41.59	2	5	1	61	252.338	7	↓ MOL2 SDF SMILES Flexibase

54792593

Analogs

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Popular Name: 2-methoxy-N-[[2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[2-[[(2R)-tetrahydr…

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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	1.89	-8.13	1	5	0	56	251.33	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.45	3.24	-43.7	2	5	1	61	252.338	7	↓ MOL2 SDF SMILES Flexibase

54792805

Analogs

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Popular Name: 2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carboxylic 2-[[(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)	0.48	3.96	-52.81	0	5	-1	75	207.209	3	↓ MOL2 SDF SMILES Flexibase

54792807

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carboxylic 2-[[(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)	0.48	3.96	-49.35	0	5	-1	75	207.209	3	↓ MOL2 SDF SMILES Flexibase

54793048

Analogs

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Popular Name: [2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanol [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)	0.25	0.83	-8.2	1	4	0	55	194.234	3	↓ MOL2 SDF SMILES Flexibase

54793051

Analogs

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Popular Name: [2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanol [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)	0.25	0.83	-8.34	1	4	0	55	194.234	3	↓ MOL2 SDF SMILES Flexibase

54793323

Analogs

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Popular Name: 4-(chloromethyl)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-(chloromethyl)-2-[[(2S)-tetrah…

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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)	1.49	4.6	-7.73	0	3	0	35	212.68	3	↓ MOL2 SDF SMILES Flexibase

54793324

Analogs

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Popular Name: 4-(chloromethyl)-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine 4-(chloromethyl)-2-[[(2R)-tetrah…

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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)	1.49	4.6	-7.73	0	3	0	35	212.68	3	↓ MOL2 SDF SMILES Flexibase

54830307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanol [6-methyl-2-[[(2S)-tetrahydrofur…

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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)	0.69	1.45	-8.75	1	4	0	55	208.261	3	↓ MOL2 SDF SMILES Flexibase

54830309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanol [6-methyl-2-[[(2R)-tetrahydrofur…

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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)	0.69	1.44	-8.55	1	4	0	55	208.261	3	↓ MOL2 SDF SMILES Flexibase

54830558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carbaldehyde 6-methyl-2-[[(2S)-tetrahydrofura…

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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)	1.14	3.73	-13.95	0	4	0	52	206.245	3	↓ MOL2 SDF SMILES Flexibase

54830560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-4-carbaldehyde 6-methyl-2-[[(2R)-tetrahydrofura…

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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)	1.14	3.73	-14.97	0	4	0	52	206.245	3	↓ MOL2 SDF SMILES Flexibase

54830768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine [6-methyl-2-[[(2S)-tetrahydrofur…

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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)	0.53	1.98	-48.44	3	4	1	63	208.285	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.53	1.58	-7.49	2	4	0	61	207.277	3	↓ MOL2 SDF SMILES Flexibase

54830771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine [6-methyl-2-[[(2R)-tetrahydrofur…

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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)	0.53	1.98	-45.26	3	4	1	63	208.285	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.53	1.57	-7.25	2	4	0	61	207.277	3	↓ MOL2 SDF SMILES Flexibase

54830984

Analogs

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Popular Name: N-methyl-1-[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-[[(2S)-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)	0.91	3.86	-42.82	2	4	1	52	222.312	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.91	2.41	-8.07	1	4	0	47	221.304	4	↓ MOL2 SDF SMILES Flexibase

54830986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methanamine N-methyl-1-[6-methyl-2-[[(2R)-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)	0.91	3.85	-39.93	2	4	1	52	222.312	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.91	2.41	-8.43	1	4	0	47	221.304	4	↓ MOL2 SDF SMILES Flexibase

54831227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-[[(2S)-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)	1.28	4.72	-40.34	2	4	1	52	236.339	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.28	3.35	-6.78	1	4	0	47	235.331	5	↓ MOL2 SDF SMILES Flexibase

54831230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine N-[[6-methyl-2-[[(2R)-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)	1.28	4.71	-42.76	2	4	1	52	236.339	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.28	3.34	-6.8	1	4	0	47	235.331	5	↓ MOL2 SDF SMILES Flexibase

54831460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine N-[[6-methyl-2-[[(2S)-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)	1.79	5.47	-41.1	2	4	1	52	250.366	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	4.11	-6.6	1	4	0	47	249.358	6	↓ MOL2 SDF SMILES Flexibase

54831462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine N-[[6-methyl-2-[[(2R)-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)	1.79	5.46	-43.55	2	4	1	52	250.366	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	4.1	-6.65	1	4	0	47	249.358	6	↓ MOL2 SDF SMILES Flexibase

54831697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-[[(2S)-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)	1.58	5.25	-40.4	2	4	1	52	250.366	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.58	4.02	-7.76	1	4	0	47	249.358	5	↓ MOL2 SDF SMILES Flexibase

54831699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine N-[[6-methyl-2-[[(2R)-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)	1.58	5.24	-37.71	2	4	1	52	250.366	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.58	4.01	-8.18	1	4	0	47	249.358	5	↓ MOL2 SDF SMILES Flexibase

54832186

Analogs

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Popular Name: 2-methyl-N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-[[(2S)-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)	2.09	5.66	-38.11	2	4	1	52	264.393	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.09	4.43	-7.49	1	4	0	47	263.385	5	↓ MOL2 SDF SMILES Flexibase

54832189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-2-amine 2-methyl-N-[[6-methyl-2-[[(2R)-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)	2.09	5.66	-35.34	2	4	1	52	264.393	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.09	4.43	-7.93	1	4	0	47	263.385	5	↓ MOL2 SDF SMILES Flexibase

54832414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-[[(2S)-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)	2.03	6.16	-42.48	2	4	1	52	264.393	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	4.79	-7.55	1	4	0	47	263.385	6	↓ MOL2 SDF SMILES Flexibase

54832416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]propan-1-amine 2-methyl-N-[[6-methyl-2-[[(2R)-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)	2.03	6.16	-39.46	2	4	1	52	264.393	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	4.79	-7.89	1	4	0	47	263.385	6	↓ MOL2 SDF SMILES Flexibase

54832637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[6-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[6-methyl-2-[[(2S)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	3.85	-43.03	2	5	1	61	266.365	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.89	2.43	-10.21	1	5	0	56	265.357	7	↓ MOL2 SDF SMILES Flexibase

54832639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[6-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidin-4-yl]methyl]ethanamine 2-methoxy-N-[[6-methyl-2-[[(2R)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	3.85	-40.53	2	5	1	61	266.365	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.89	2.42	-10.79	1	5	0	56	265.357	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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