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ZINC Item

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69895547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-(2-furyl)-2-methyl-tet…

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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)	1.34	1.87	-5.25	1	3	0	43	182.219	1	↓ MOL2 SDF SMILES Flexibase

69895550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4S)-4-(2-furyl)-2-methyl-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.34	1.65	-4.96	1	3	0	43	182.219	1	↓ MOL2 SDF SMILES Flexibase

69895553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4R)-4-(2-furyl)-2-methyl-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.34	1.65	-4.96	1	3	0	43	182.219	1	↓ MOL2 SDF SMILES Flexibase

69895554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4R)-4-(2-furyl)-2-methyl-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.34	1.86	-5.26	1	3	0	43	182.219	1	↓ MOL2 SDF SMILES Flexibase

69895577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(3-bromo-2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-(3-bromo-2-furyl)-2-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)	2.08	2.4	-4.32	1	3	0	43	261.115	1	↓ MOL2 SDF SMILES Flexibase

69895579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(3-bromo-2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4S)-4-(3-bromo-2-furyl)-2-me…

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Activity (Go SEA)

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)	2.08	2.2	-4.34	1	3	0	43	261.115	1	↓ MOL2 SDF SMILES Flexibase

69895581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(3-bromo-2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4R)-4-(3-bromo-2-furyl)-2-me…

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Activity (Go SEA)

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)	2.08	2.29	-4.38	1	3	0	43	261.115	1	↓ MOL2 SDF SMILES Flexibase

69895582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(3-bromo-2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4R)-4-(3-bromo-2-furyl)-2-me…

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Activity (Go SEA)

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)	2.08	2.49	-4.31	1	3	0	43	261.115	1	↓ MOL2 SDF SMILES Flexibase

69896022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-4-(2-furyl)tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-(2-furyl)tetra…

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Activity (Go SEA)

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)	1.84	2.68	-5.04	1	3	0	43	196.246	2	↓ MOL2 SDF SMILES Flexibase

69896025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-4-(2-furyl)tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-(2-furyl)tetra…

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Activity (Go SEA)

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)	1.84	2.48	-4.8	1	3	0	43	196.246	2	↓ MOL2 SDF SMILES Flexibase

69896027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-4-(2-furyl)tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-(2-furyl)tetra…

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Activity (Go SEA)

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)	1.84	2.48	-4.8	1	3	0	43	196.246	2	↓ MOL2 SDF SMILES Flexibase

69896030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-4-(2-furyl)tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-(2-furyl)tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.84	2.68	-5.08	1	3	0	43	196.246	2	↓ MOL2 SDF SMILES Flexibase

69896033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(3-bromo-2-furyl)-2-ethyl-tetrahydropyran-4-ol (2R,4S)-4-(3-bromo-2-furyl)-2-et…

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Activity (Go SEA)

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)	2.58	3.22	-4.18	1	3	0	43	275.142	2	↓ MOL2 SDF SMILES Flexibase

69896035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(3-bromo-2-furyl)-2-ethyl-tetrahydropyran-4-ol (2S,4S)-4-(3-bromo-2-furyl)-2-et…

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Activity (Go SEA)

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)	2.58	3.02	-4.2	1	3	0	43	275.142	2	↓ MOL2 SDF SMILES Flexibase

69896038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(3-bromo-2-furyl)-2-ethyl-tetrahydropyran-4-ol (2R,4R)-4-(3-bromo-2-furyl)-2-et…

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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)	2.58	3.11	-4.19	1	3	0	43	275.142	2	↓ MOL2 SDF SMILES Flexibase

69896040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(3-bromo-2-furyl)-2-ethyl-tetrahydropyran-4-ol (2S,4R)-4-(3-bromo-2-furyl)-2-et…

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Activity (Go SEA)

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)	2.58	3.32	-4.17	1	3	0	43	275.142	2	↓ MOL2 SDF SMILES Flexibase

69896302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(2-furyl)-2-propyl-tetrahydropyran-4-ol (2R,4S)-4-(2-furyl)-2-propyl-tet…

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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)	2.40	3.46	-5.01	1	3	0	43	210.273	3	↓ MOL2 SDF SMILES Flexibase

69896304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(2-furyl)-2-propyl-tetrahydropyran-4-ol (2S,4S)-4-(2-furyl)-2-propyl-tet…

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Activity (Go SEA)

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)	2.40	3.25	-4.73	1	3	0	43	210.273	3	↓ MOL2 SDF SMILES Flexibase

69896305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(2-furyl)-2-propyl-tetrahydropyran-4-ol (2R,4R)-4-(2-furyl)-2-propyl-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.40	3.25	-4.72	1	3	0	43	210.273	3	↓ MOL2 SDF SMILES Flexibase

69896307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(2-furyl)-2-propyl-tetrahydropyran-4-ol (2S,4R)-4-(2-furyl)-2-propyl-tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.40	3.46	-5	1	3	0	43	210.273	3	↓ MOL2 SDF SMILES Flexibase

69896308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(3-bromo-2-furyl)-2-propyl-tetrahydropyran-4-ol (2R,4S)-4-(3-bromo-2-furyl)-2-pr…

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Activity (Go SEA)

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)	3.14	4	-4.08	1	3	0	43	289.169	3	↓ MOL2 SDF SMILES Flexibase

69896310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(3-bromo-2-furyl)-2-propyl-tetrahydropyran-4-ol (2S,4S)-4-(3-bromo-2-furyl)-2-pr…

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Activity (Go SEA)

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)	3.14	3.8	-4.09	1	3	0	43	289.169	3	↓ MOL2 SDF SMILES Flexibase

69896313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(3-bromo-2-furyl)-2-propyl-tetrahydropyran-4-ol (2R,4R)-4-(3-bromo-2-furyl)-2-pr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.14	3.89	-4.11	1	3	0	43	289.169	3	↓ MOL2 SDF SMILES Flexibase

69896319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(3-bromo-2-furyl)-2-propyl-tetrahydropyran-4-ol (2S,4R)-4-(3-bromo-2-furyl)-2-pr…

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Activity (Go SEA)

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)	3.14	4.09	-4.09	1	3	0	43	289.169	3	↓ MOL2 SDF SMILES Flexibase

69896538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2S,4S)-4-(2-furyl)-2-isopropyl-…

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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	3.2	-5	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2R,4S)-4-(2-furyl)-2-isopropyl-…

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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	3.07	-4.6	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2S,4R)-4-(2-furyl)-2-isopropyl-…

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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	3.01	-4.74	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2R,4R)-4-(2-furyl)-2-isopropyl-…

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Activity (Go SEA)

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	3.29	-4.86	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-(3-bromo-2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2S,4S)-4-(3-bromo-2-furyl)-2-is…

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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	3.74	-4.09	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69896552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-(3-bromo-2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2R,4S)-4-(3-bromo-2-furyl)-2-is…

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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	3.61	-4.01	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69896555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(3-bromo-2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2S,4R)-4-(3-bromo-2-furyl)-2-is…

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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	3.64	-4.09	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69896558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(3-bromo-2-furyl)-2-isopropyl-tetrahydropyran-4-ol (2R,4R)-4-(3-bromo-2-furyl)-2-is…

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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	3.91	-3.99	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69896782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(2-furyl)-2,2-dimethyl-tetrahydropyran-4-ol (4S)-4-(2-furyl)-2,2-dimethyl-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)	1.79	2.65	-5.09	1	3	0	43	196.246	1	↓ MOL2 SDF SMILES Flexibase

69896784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-furyl)-2,2-dimethyl-tetrahydropyran-4-ol (4R)-4-(2-furyl)-2,2-dimethyl-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)	1.79	2.65	-5.08	1	3	0	43	196.246	1	↓ MOL2 SDF SMILES Flexibase

69896785

Analogs

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Popular Name: (4S)-4-(3-bromo-2-furyl)-2,2-dimethyl-tetrahydropyran-4-ol (4S)-4-(3-bromo-2-furyl)-2,2-dim…

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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)	2.52	3.19	-3.97	1	3	0	43	275.142	1	↓ MOL2 SDF SMILES Flexibase

69896789

Analogs

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Popular Name: (4R)-4-(3-bromo-2-furyl)-2,2-dimethyl-tetrahydropyran-4-ol (4R)-4-(3-bromo-2-furyl)-2,2-dim…

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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)	2.52	3.3	-3.98	1	3	0	43	275.142	1	↓ MOL2 SDF SMILES Flexibase

69896991

Analogs

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Popular Name: (2R,4S)-2-ethyl-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4S)-2-ethyl-4-(2-furyl)-2-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)	2.29	3.32	-4.92	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896994

Analogs

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Popular Name: (2S,4S)-2-ethyl-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4S)-2-ethyl-4-(2-furyl)-2-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)	2.29	2.41	-3.87	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896996

Analogs

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Popular Name: (2R,4R)-2-ethyl-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2R,4R)-2-ethyl-4-(2-furyl)-2-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)	2.29	2.4	-3.88	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69896997

Analogs

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Popular Name: (2S,4R)-2-ethyl-4-(2-furyl)-2-methyl-tetrahydropyran-4-ol (2S,4R)-2-ethyl-4-(2-furyl)-2-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)	2.29	3.36	-4.92	1	3	0	43	210.273	2	↓ MOL2 SDF SMILES Flexibase

69897000

Analogs

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Popular Name: (2R,4S)-4-(3-bromo-2-furyl)-2-ethyl-2-methyl-tetrahydropyran-4-ol (2R,4S)-4-(3-bromo-2-furyl)-2-et…

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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)	3.03	3.87	-3.83	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69897001

Analogs

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Popular Name: (2S,4S)-4-(3-bromo-2-furyl)-2-ethyl-2-methyl-tetrahydropyran-4-ol (2S,4S)-4-(3-bromo-2-furyl)-2-et…

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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)	3.03	2.89	-4.4	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69897003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-(3-bromo-2-furyl)-2-ethyl-2-methyl-tetrahydropyran-4-ol (2R,4R)-4-(3-bromo-2-furyl)-2-et…

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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)	3.03	2.88	-4.39	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

69897006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-(3-bromo-2-furyl)-2-ethyl-2-methyl-tetrahydropyran-4-ol (2S,4R)-4-(3-bromo-2-furyl)-2-et…

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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)	3.03	4.01	-3.8	1	3	0	43	289.169	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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