ZINC 12

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ZINC Item

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69843097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-furyl)-[(2S)-2-piperidyl]methanol (R)-(5-methyl-2-furyl)-[(2S)-2-p…

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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	3.17	-33.67	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69843099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-furyl)-[(2S)-2-piperidyl]methanol (S)-(5-methyl-2-furyl)-[(2S)-2-p…

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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)	1.28	2.97	-38.28	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69843101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-furyl)-[(2R)-2-piperidyl]methanol (R)-(5-methyl-2-furyl)-[(2R)-2-p…

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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)	1.28	2.82	-38.15	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69843103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-furyl)-[(2R)-2-piperidyl]methanol (S)-(5-methyl-2-furyl)-[(2R)-2-p…

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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	3.26	-33.55	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69843128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-furyl)-[(2S)-2-piperidyl]methanol (R)-(5-bromo-2-furyl)-[(2S)-2-pi…

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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)	2.00	3.07	-34.4	3	3	1	50	261.139	2	↓ MOL2 SDF SMILES Flexibase

69843130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2S)-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2S)-2-pi…

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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)	2.00	2.87	-40.55	3	3	1	50	261.139	2	↓ MOL2 SDF SMILES Flexibase

69843132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-furyl)-[(2R)-2-piperidyl]methanol (R)-(5-bromo-2-furyl)-[(2R)-2-pi…

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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)	2.00	2.74	-40.38	3	3	1	50	261.139	2	↓ MOL2 SDF SMILES Flexibase

69843135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2R)-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2R)-2-pi…

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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)	2.00	3.16	-34.52	3	3	1	50	261.139	2	↓ MOL2 SDF SMILES Flexibase

69843227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-[(2S)-2-piperidyl]methanol (R)-(4,5-dibromo-2-furyl)-[(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)	2.73	3.68	-36.57	3	3	1	50	340.035	2	↓ MOL2 SDF SMILES Flexibase

69843229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2S)-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(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)	2.73	3.47	-42.17	3	3	1	50	340.035	2	↓ MOL2 SDF SMILES Flexibase

69843233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-[(2R)-2-piperidyl]methanol (R)-(4,5-dibromo-2-furyl)-[(2R)-…

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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)	2.73	3.35	-41.93	3	3	1	50	340.035	2	↓ MOL2 SDF SMILES Flexibase

69843234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2R)-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(2R)-…

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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)	2.73	3.76	-36.6	3	3	1	50	340.035	2	↓ MOL2 SDF SMILES Flexibase

69843835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-[(2S)-2-piperidyl]methanol (R)-(5-ethyl-2-furyl)-[(2S)-2-pi…

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)	1.86	3.95	-33.72	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69843837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-[(2S)-2-piperidyl]methanol (S)-(5-ethyl-2-furyl)-[(2S)-2-pi…

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)	1.86	3.75	-38.07	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69843839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-[(2R)-2-piperidyl]methanol (R)-(5-ethyl-2-furyl)-[(2R)-2-pi…

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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)	1.86	3.6	-38.14	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69843840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-[(2R)-2-piperidyl]methanol (S)-(5-ethyl-2-furyl)-[(2R)-2-pi…

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)	1.86	4.04	-33.41	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69939474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (R)-(5-methyl-2-furyl)-[(2S,4R)-…

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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)	1.53	3.78	-34.41	3	3	1	50	210.297	2	↓ MOL2 SDF SMILES Flexibase

69939475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-(5-methyl-2-furyl)-[(2S,4R)-…

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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)	1.53	3.49	-36.47	3	3	1	50	210.297	2	↓ MOL2 SDF SMILES Flexibase

69939476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (R)-(5-methyl-2-furyl)-[(2R,4R)-…

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)	1.53	3.1	-35.78	3	3	1	50	210.297	2	↓ MOL2 SDF SMILES Flexibase

69939477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-(5-methyl-2-furyl)-[(2R,4R)-…

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)	1.53	3.64	-33.7	3	3	1	50	210.297	2	↓ MOL2 SDF SMILES Flexibase

69939478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S,4R)-4-ethyl-2-piperidyl]-(5-methyl-2-furyl)methanol (S)-[(2S,4R)-4-ethyl-2-piperidyl…

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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)	2.21	4.14	-36.98	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S,4S)-4-ethyl-2-piperidyl]-(5-methyl-2-furyl)methanol (S)-[(2S,4S)-4-ethyl-2-piperidyl…

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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)	2.21	3.86	-36.8	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R,4R)-4-ethyl-2-piperidyl]-(5-methyl-2-furyl)methanol (S)-[(2R,4R)-4-ethyl-2-piperidyl…

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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)	2.21	4.24	-34.33	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R,4S)-4-ethyl-2-piperidyl]-(5-methyl-2-furyl)methanol (S)-[(2R,4S)-4-ethyl-2-piperidyl…

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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)	2.21	4.51	-34.83	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2S,4R)-4…

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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)	2.24	3.38	-39.43	3	3	1	50	275.166	2	↓ MOL2 SDF SMILES Flexibase

69939487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2S,4S)-4-methyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2S,4S)-4…

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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)	2.24	3.15	-39.09	3	3	1	50	275.166	2	↓ MOL2 SDF SMILES Flexibase

69939488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2R,4R)-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)	2.24	3.53	-34.68	3	3	1	50	275.166	2	↓ MOL2 SDF SMILES Flexibase

69939489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2R,4S)-4-methyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2R,4S)-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)	2.24	3.75	-35.4	3	3	1	50	275.166	2	↓ MOL2 SDF SMILES Flexibase

69939490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2S,4R)-4-ethyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2S,4R)-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)	2.92	4.04	-40.03	3	3	1	50	289.193	3	↓ MOL2 SDF SMILES Flexibase

69939491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2S,4S)-4-ethyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2S,4S)-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)	2.92	3.77	-39.83	3	3	1	50	289.193	3	↓ MOL2 SDF SMILES Flexibase

69939492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2R,4R)-4-ethyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2R,4R)-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)	2.92	4.15	-35.45	3	3	1	50	289.193	3	↓ MOL2 SDF SMILES Flexibase

69939493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-[(2R,4S)-4-ethyl-2-piperidyl]methanol (S)-(5-bromo-2-furyl)-[(2R,4S)-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)	2.92	4.41	-35.9	3	3	1	50	289.193	3	↓ MOL2 SDF SMILES Flexibase

69939518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-2-furyl-[(2S,4R)-4-methyl-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)	1.30	2.65	-36.42	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69939519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-[(2S,4S)-4-methyl-2-piperidyl]methanol (S)-2-furyl-[(2S,4S)-4-methyl-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)	1.30	2.42	-36.08	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69939520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-2-furyl-[(2R,4R)-4-methyl-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)	1.30	2.8	-34.2	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69939521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-[(2R,4S)-4-methyl-2-piperidyl]methanol (S)-2-furyl-[(2R,4S)-4-methyl-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)	1.30	3.03	-34.81	3	3	1	50	196.27	2	↓ MOL2 SDF SMILES Flexibase

69939522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S,4R)-4-ethyl-2-piperidyl]-(2-furyl)methanol (S)-[(2S,4R)-4-ethyl-2-piperidyl…

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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)	1.99	3.32	-36.95	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69939523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2S,4S)-4-ethyl-2-piperidyl]-(2-furyl)methanol (S)-[(2S,4S)-4-ethyl-2-piperidyl…

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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)	1.99	3.04	-36.73	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69939524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R,4R)-4-ethyl-2-piperidyl]-(2-furyl)methanol (S)-[(2R,4R)-4-ethyl-2-piperidyl…

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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)	1.99	3.42	-34.86	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69939525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R,4S)-4-ethyl-2-piperidyl]-(2-furyl)methanol (S)-[(2R,4S)-4-ethyl-2-piperidyl…

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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)	1.99	3.69	-35.24	3	3	1	50	210.297	3	↓ MOL2 SDF SMILES Flexibase

69939542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(2S,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)	2.97	3.99	-40.38	3	3	1	50	354.062	2	↓ MOL2 SDF SMILES Flexibase

69939544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2S,4S)-4-methyl-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(2S,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)	2.97	3.75	-39.96	3	3	1	50	354.062	2	↓ MOL2 SDF SMILES Flexibase

69939545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(2R,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)	2.97	4.13	-36.75	3	3	1	50	354.062	2	↓ MOL2 SDF SMILES Flexibase

69939546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-[(2R,4S)-4-methyl-2-piperidyl]methanol (S)-(4,5-dibromo-2-furyl)-[(2R,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)	2.97	4.37	-37.49	3	3	1	50	354.062	2	↓ MOL2 SDF SMILES Flexibase

69939904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (R)-(5-ethyl-2-furyl)-[(2S,4R)-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)	2.10	4.57	-34.5	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-[(2S,4R)-4-methyl-2-piperidyl]methanol (S)-(5-ethyl-2-furyl)-[(2S,4R)-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)	2.10	4.27	-36.36	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (R)-(5-ethyl-2-furyl)-[(2R,4R)-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)	2.10	3.88	-35.82	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

69939907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-[(2R,4R)-4-methyl-2-piperidyl]methanol (S)-(5-ethyl-2-furyl)-[(2R,4R)-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)	2.10	4.42	-33.6	3	3	1	50	224.324	3	↓ MOL2 SDF SMILES Flexibase

41201608

Analogs

41201611
41201614
41201617

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl-[(2S)-2-piperidyl]methanol (R)-2-furyl-[(2S)-2-piperidyl]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)	1.06	2.35	-34.14	3	3	1	50	182.243	2	↓ MOL2 SDF SMILES Flexibase

41201611

Analogs

41201614
41201617
41201608

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-[(2S)-2-piperidyl]methanol (S)-2-furyl-[(2S)-2-piperidyl]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)	1.06	2.14	-38.14	3	3	1	50	182.243	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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