ZINC 12

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ZINC Item

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62879102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methylpyrrolidin-3-yl]-morpholino-methanone [(3S)-3-methylpyrrolidin-3-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)	0.04	1.37	-47.45	2	4	1	46	199.274	1	↓ MOL2 SDF SMILES Flexibase

62879104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylpyrrolidin-3-yl]-morpholino-methanone [(3R)-3-methylpyrrolidin-3-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)	0.04	1.47	-43.13	2	4	1	46	199.274	1	↓ MOL2 SDF SMILES Flexibase

62879106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-morpholino-methanone [(3S)-3-ethylpyrrolidin-3-yl]-mo…

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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)	0.38	1.97	-49.15	2	4	1	46	213.301	2	↓ MOL2 SDF SMILES Flexibase

62879108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-morpholino-methanone [(3R)-3-ethylpyrrolidin-3-yl]-mo…

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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)	0.38	1.94	-46.88	2	4	1	46	213.301	2	↓ MOL2 SDF SMILES Flexibase

62879110

Analogs

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Popular Name: morpholino-[(3S)-3-propylpyrrolidin-3-yl]methanone morpholino-[(3S)-3-propylpyrroli…

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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)	0.94	2.71	-49.48	2	4	1	46	227.328	3	↓ MOL2 SDF SMILES Flexibase

62879111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino-[(3R)-3-propylpyrrolidin-3-yl]methanone morpholino-[(3R)-3-propylpyrroli…

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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)	0.94	2.72	-47.13	2	4	1	46	227.328	3	↓ MOL2 SDF SMILES Flexibase

62887362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	0.77	2.99	-43.83	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62887364

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S,6S)-2,6-dimethylmorpholin-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)	0.77	3.15	-43.72	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62887367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	0.77	2.91	-44.02	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62887369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	1.10	3.53	-49.2	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62887371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	1.10	3.48	-47.17	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62887374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	1.10	3.35	-49.18	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62887376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	1.10	3.47	-46.93	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62887378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	1.66	4.3	-49.5	2	4	1	46	255.382	3	↓ MOL2 SDF SMILES Flexibase

62887380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	1.66	4.25	-47.44	2	4	1	46	255.382	3	↓ MOL2 SDF SMILES Flexibase

62887381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	1.66	4.26	-49.1	2	4	1	46	255.382	3	↓ MOL2 SDF SMILES Flexibase

62887383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	1.66	4.37	-47.64	2	4	1	46	255.382	3	↓ MOL2 SDF SMILES Flexibase

62887432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2R)-2-methylmorpholin-4-yl]-[(…

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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)	0.40	2.21	-43.49	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62887434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S)-2-methylmorpholin-4-yl]-[(…

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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)	0.40	2.23	-43.8	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62887436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(2R)-2-methylmorpholin-4-yl]-[(…

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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)	0.40	2.2	-43.5	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62887438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(2S)-2-methylmorpholin-4-yl]-[(…

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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)	0.40	2.2	-43.18	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62887440

Analogs

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Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone [(3S)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.74	2.69	-49.16	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62887442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-[(2R)-2-methylmorpholin-4-yl]methanone [(3R)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.74	2.69	-46.89	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62887444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone [(3S)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.74	2.77	-48.97	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62887446

Analogs

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Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-[(2S)-2-methylmorpholin-4-yl]methanone [(3R)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.74	2.73	-46.91	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62887449

Analogs

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Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(2R)-2-methylmorpholin-4-yl]-[(…

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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	3.46	-49.49	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62887452

Analogs

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Popular Name: [(2R)-2-methylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(2R)-2-methylmorpholin-4-yl]-[(…

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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	3.46	-47.18	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62887454

Analogs

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Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(2S)-2-methylmorpholin-4-yl]-[(…

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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	3.55	-49.26	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62887456

Analogs

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Popular Name: [(2S)-2-methylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(2S)-2-methylmorpholin-4-yl]-[(…

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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	3.5	-47.2	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62890774

Analogs

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Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(3R)-3-methylmorpholin-4-yl]-[(…

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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	2.13	-42.23	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62890775

Analogs

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Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(3S)-3-methylmorpholin-4-yl]-[(…

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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	2.09	-42.28	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62890776

Analogs

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Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(3R)-3-methylmorpholin-4-yl]-[(…

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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	2.11	-42.09	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62890777

Analogs

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Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(3S)-3-methylmorpholin-4-yl]-[(…

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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	2.07	-42.4	2	4	1	46	213.301	1	↓ MOL2 SDF SMILES Flexibase

62890778

Analogs

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Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone [(3S)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.71	2.66	-47.54	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62890779

Analogs

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Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-[(3S)-3-methylmorpholin-4-yl]methanone [(3R)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.71	2.6	-45.73	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62890780

Analogs

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Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone [(3S)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.71	2.59	-48	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62890781

Analogs

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Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-[(3R)-3-methylmorpholin-4-yl]methanone [(3R)-3-ethylpyrrolidin-3-yl]-[(…

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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)	0.71	2.58	-45.52	2	4	1	46	227.328	2	↓ MOL2 SDF SMILES Flexibase

62890782

Analogs

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Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(3S)-3-methylmorpholin-4-yl]-[(…

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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)	1.26	3.43	-47.8	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62890783

Analogs

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Popular Name: [(3S)-3-methylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(3S)-3-methylmorpholin-4-yl]-[(…

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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)	1.26	3.37	-46.04	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62890784

Analogs

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Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(3R)-3-methylmorpholin-4-yl]-[(…

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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)	1.26	3.36	-48.3	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62890785

Analogs

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Popular Name: [(3R)-3-methylmorpholin-4-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(3R)-3-methylmorpholin-4-yl]-[(…

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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)	1.26	3.35	-45.77	2	4	1	46	241.355	3	↓ MOL2 SDF SMILES Flexibase

62890792

Analogs

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Popular Name: [(2R,5R)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2R,5R)-2,5-dimethylmorpholin-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)	0.73	2.92	-43.4	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62890793

Analogs

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Popular Name: [(2S,5R)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S,5R)-2,5-dimethylmorpholin-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)	0.73	2.86	-43	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62890794

Analogs

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Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2R,5S)-2,5-dimethylmorpholin-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)	0.73	2.86	-42.6	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62890795

Analogs

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Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	0.73	3.01	-43.47	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

62890796

Analogs

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Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	1.07	3.46	-49.17	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62890797

Analogs

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Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	1.07	3.44	-46.76	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62890798

Analogs

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Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(2R,5S)-2,5-dimethylmorpholin-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)	1.07	3.41	-47.83	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62890799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(2R,5S)-2,5-dimethylmorpholin-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)	1.07	3.34	-46.03	2	4	1	46	241.355	2	↓ MOL2 SDF SMILES Flexibase

62890800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	1.63	4.2	-48.83	2	4	1	46	255.382	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 297881
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 297881 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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