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ZINC Item

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49628388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[[(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)	-0.18	0.94	-11.7	2	5	0	71	260.293	3	↓ MOL2 SDF SMILES Flexibase

49628389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[[(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)	-0.18	0.98	-11.58	2	5	0	71	260.293	3	↓ MOL2 SDF SMILES Flexibase

49628390

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[[(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)	0.09	1.7	-10.17	2	5	0	71	274.32	4	↓ MOL2 SDF SMILES Flexibase

49628391

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[[(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)	0.09	1.75	-10.1	2	5	0	71	274.32	4	↓ MOL2 SDF SMILES Flexibase

49628424

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S)…

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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)	0.15	2.28	-10.66	2	5	0	71	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R)…

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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)	0.15	1.74	-11.04	2	5	0	71	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628426

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1S)…

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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)	0.15	1.72	-10.61	2	5	0	71	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-[(1R)…

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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)	0.15	2.27	-10.89	2	5	0	71	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628428

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S)-…

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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)	0.42	3.04	-9.43	2	5	0	71	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628429

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R)-…

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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)	0.42	2.51	-9.2	2	5	0	71	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628430

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1S)-…

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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)	0.42	2.49	-9.19	2	5	0	71	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-[(1R)-…

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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)	0.42	3.04	-9.02	2	5	0	71	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-methy…

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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)	-0.41	3.5	-13.74	1	5	0	63	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-methy…

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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)	-0.41	2.83	-11.11	1	5	0	63	274.32	3	↓ MOL2 SDF SMILES Flexibase

49628758

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-methyl…

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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)	-0.14	4.26	-12.34	1	5	0	63	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-methyl…

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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)	-0.14	3.6	-9.59	1	5	0	63	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-ethyl-5-(3-hydroxyprop-1-ynyl)…

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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)	-0.03	4.25	-13.13	1	5	0	63	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-ethyl-5-(3-hydroxyprop-1-ynyl)…

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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)	-0.03	3.72	-10.55	1	5	0	63	288.347	4	↓ MOL2 SDF SMILES Flexibase

49628985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(2S)-tetrahydrofuran-…

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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)	0.04	3.98	-51.04	1	6	-1	91	275.284	5	↓ MOL2 SDF SMILES Flexibase

49628986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(2R)-tetrahydrofuran-…

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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)	0.04	4.01	-50.94	1	6	-1	91	275.284	5	↓ MOL2 SDF SMILES Flexibase

49628998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S)-1-[(2S)-tetrahyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	5.31	-49.93	1	6	-1	91	289.311	5	↓ MOL2 SDF SMILES Flexibase

49628999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R)-1-[(2S)-tetrahyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	4.77	-50.18	1	6	-1	91	289.311	5	↓ MOL2 SDF SMILES Flexibase

49629000

Analogs

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Popular Name: (E)-3-[5-[[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S)-1-[(2R)-tetrahyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	4.75	-50.09	1	6	-1	91	289.311	5	↓ MOL2 SDF SMILES Flexibase

49629001

Analogs

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Popular Name: (E)-3-[5-[[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R)-1-[(2R)-tetrahyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	5.3	-49.82	1	6	-1	91	289.311	5	↓ MOL2 SDF SMILES Flexibase

49629185

Analogs

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Popular Name: (E)-3-[5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[methyl-[[(2S)-tetrahyd…

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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)	-0.18	6.53	-50.35	0	6	-1	83	289.311	5	↓ MOL2 SDF SMILES Flexibase

49629186

Analogs

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Popular Name: (E)-3-[5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[methyl-[[(2R)-tetrahyd…

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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)	-0.18	5.86	-48.03	0	6	-1	83	289.311	5	↓ MOL2 SDF SMILES Flexibase

49629382

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[[(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)	-0.75	1.65	-53.01	4	5	1	79	260.317	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	1.24	-9.8	3	5	0	77	259.309	3	↓ MOL2 SDF SMILES Flexibase

49629383

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[[(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)	-0.75	1.69	-53.04	4	5	1	79	260.317	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.75	1.28	-9.65	3	5	0	77	259.309	3	↓ MOL2 SDF SMILES Flexibase

49629405

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-1…

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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)	-0.42	2.99	-52.31	4	5	1	79	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.42	2.58	-8.67	3	5	0	77	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629406

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-1…

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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)	-0.42	2.45	-51.08	4	5	1	79	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.42	2.04	-9.07	3	5	0	77	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629407

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-1…

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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)	-0.42	2.44	-51.91	4	5	1	79	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.42	2.02	-8.55	3	5	0	77	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629408

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-1…

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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)	-0.42	2.98	-51.09	4	5	1	79	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.42	2.57	-8.85	3	5	0	77	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629595

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-methyl-…

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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)	-0.97	4.21	-60.72	3	5	1	70	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.97	3.8	-11.94	2	5	0	68	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-methyl-…

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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)	-0.97	3.54	-57.26	3	5	1	70	274.344	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.97	3.13	-9.21	2	5	0	68	273.336	3	↓ MOL2 SDF SMILES Flexibase

49629601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-ethyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.60	4.96	-59.86	3	5	1	70	288.371	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.60	4.55	-11.18	2	5	0	68	287.363	4	↓ MOL2 SDF SMILES Flexibase

49629602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-ethyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.60	4.43	-56.93	3	5	1	70	288.371	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.60	4.02	-8.55	2	5	0	68	287.363	4	↓ MOL2 SDF SMILES Flexibase

40553217

Analogs

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Popular Name: 6-ethoxy-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 6-ethoxy-N-[[(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)	1.04	1.57	-8.02	1	5	0	60	250.298	5	↓ MOL2 SDF SMILES Flexibase

40553218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 6-ethoxy-N-[[(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)	1.04	1.6	-7.95	1	5	0	60	250.298	5	↓ MOL2 SDF SMILES Flexibase

48951454

Analogs

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Popular Name: 5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 5-[methyl-[[(2S)-tetrahydrofuran…

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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)	-0.31	5.26	-55.38	0	6	-1	83	263.273	4	↓ MOL2 SDF SMILES Flexibase

48951456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 5-[methyl-[[(2R)-tetrahydrofuran…

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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)	-0.31	4.59	-52.15	0	6	-1	83	263.273	4	↓ MOL2 SDF SMILES Flexibase

48952431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-ethyl-2-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-amino-N-ethyl-2-methyl-N-[[(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)	0.43	4.09	-11.93	2	5	0	68	263.341	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.43	4.49	-35.11	3	5	1	70	264.349	4	↓ MOL2 SDF SMILES Flexibase

48952433

Analogs

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Popular Name: 5-amino-N-ethyl-2-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5-amino-N-ethyl-2-methyl-N-[[(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)	0.43	3.49	-8.98	2	5	0	68	263.341	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.43	3.9	-33.39	3	5	1	70	264.349	4	↓ MOL2 SDF SMILES Flexibase

48966192

Analogs

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Popular Name: 5,6-dichloro-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5,6-dichloro-N-ethyl-N-[[(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)	2.04	6.33	-8.94	0	4	0	42	303.189	4	↓ MOL2 SDF SMILES Flexibase

48966194

Analogs

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Popular Name: 5,6-dichloro-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 5,6-dichloro-N-ethyl-N-[[(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)	2.04	5.8	-6.38	0	4	0	42	303.189	4	↓ MOL2 SDF SMILES Flexibase

48966203

Analogs

42465632
42465634

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Popular Name: 2-chloro-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 2-chloro-N-ethyl-N-[[(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)	1.38	6.08	-14.08	0	4	0	42	268.744	4	↓ MOL2 SDF SMILES Flexibase

48966206

Analogs

42465632
42465634

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide 2-chloro-N-ethyl-N-[[(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)	1.38	5.47	-14.11	0	4	0	42	268.744	4	↓ MOL2 SDF SMILES Flexibase

48968897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 5-[ethyl-[[(2S)-tetrahydrofuran-…

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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)	0.06	6	-54.89	0	6	-1	83	277.3	5	↓ MOL2 SDF SMILES Flexibase

48968900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 5-[ethyl-[[(2R)-tetrahydrofuran-…

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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)	0.06	5.47	-51.59	0	6	-1	83	277.3	5	↓ MOL2 SDF SMILES Flexibase

49419706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[[(2S)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-dicarboxamide N5-[[(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)	-0.84	-1.02	-10.77	3	6	0	94	249.27	4	↓ MOL2 SDF SMILES Flexibase

49419708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-2,5-dicarboxamide N5-[[(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)	-0.84	-0.99	-10.63	3	6	0	94	249.27	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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