ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36110817

Analogs

39702531
39702532

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	1.00	3.12	-9.56	1	8	0	86	350.371	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	5	-49.12	2	8	1	88	351.379	7	↓ MOL2 SDF SMILES Flexibase

36110818

Analogs

39702531
39702532

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	1.00	2.61	-10.37	1	8	0	86	350.371	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	5.03	-49.9	2	8	1	88	351.379	7	↓ MOL2 SDF SMILES Flexibase

20613951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-diethylaminoethyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	0.66	2.46	-42.99	3	9	1	94	421.518	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	1.18	-45.38	2	9	0	100	420.51	10	↓ MOL2 SDF SMILES Flexibase

20613952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-diethylaminoethyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	0.66	2.74	-42.66	3	9	1	94	421.518	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.84	1.46	-45.2	2	9	0	100	420.51	10	↓ MOL2 SDF SMILES Flexibase

20613980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-propyl-oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	0.75	0.77	-9.94	2	8	0	89	363.414	7	↓ MOL2 SDF SMILES Flexibase

20613982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-propyl-oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	0.75	0.86	-9.31	2	8	0	89	363.414	7	↓ MOL2 SDF SMILES Flexibase

20613984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-dimethylaminoethyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	-0.10	0.86	-45.73	3	9	1	94	393.464	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.09	-0.41	-49.54	2	9	0	100	392.456	8	↓ MOL2 SDF SMILES Flexibase

20613986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-dimethylaminoethyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	-0.10	1.38	-44.62	3	9	1	94	393.464	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.09	0.11	-48.25	2	9	0	100	392.456	8	↓ MOL2 SDF SMILES Flexibase

20613996

Analogs

20613998
17170360

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(3-dimethylaminopropyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	0.17	1.65	-45.55	3	9	1	94	407.491	9	↓ MOL2 SDF SMILES Flexibase

20613998

Analogs

20613996

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(3-dimethylaminopropyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	0.17	2.18	-44.67	3	9	1	94	407.491	9	↓ MOL2 SDF SMILES Flexibase

20614000

Analogs

20614002

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-butyl-oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	1.31	1.55	-9.81	2	8	0	89	377.441	8	↓ MOL2 SDF SMILES Flexibase

20614002

Analogs

20614000

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-butyl-oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	1.31	1.61	-10.29	2	8	0	89	377.441	8	↓ MOL2 SDF SMILES Flexibase

20614004

Analogs

20614006
20614027
20614029

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-methoxyethyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	-0.14	-1.34	-11.1	2	9	0	98	379.413	8	↓ MOL2 SDF SMILES Flexibase

20614006

Analogs

20614027
20614029
20614004

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2-methoxyethyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	-0.14	-0.82	-10.59	2	9	0	98	379.413	8	↓ MOL2 SDF SMILES Flexibase

20614008

Analogs

20614010

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-pentyl-oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	1.82	1.9	-9.78	2	8	0	89	391.468	9	↓ MOL2 SDF SMILES Flexibase

20614010

Analogs

20614008

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-pentyl-oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	1.82	2.41	-9.15	2	8	0	89	391.468	9	↓ MOL2 SDF SMILES Flexibase

20614027

Analogs

20614029
20614004
20614006

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N'-(2-hydroxyethyl)oxamide N-[(2S)-2-(1,3-benzodioxol-5-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)	-0.76	-3.6	-11.15	3	9	0	109	365.386	7	↓ MOL2 SDF SMILES Flexibase

20614029

Analogs

20614004
20614006

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N'-(2-hydroxyethyl)oxamide N-[(2R)-2-(1,3-benzodioxol-5-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)	-0.76	-3.23	-11.64	3	9	0	109	365.386	7	↓ MOL2 SDF SMILES Flexibase

20614031

Analogs

20614033

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]butanamide N-[(2S)-2-(1,3-benzodioxol-5-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)	2.21	3.19	-10.11	1	6	0	60	320.389	6	↓ MOL2 SDF SMILES Flexibase

20614033

Analogs

20614031

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]butanamide N-[(2R)-2-(1,3-benzodioxol-5-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)	2.21	2.63	-12.86	1	6	0	60	320.389	6	↓ MOL2 SDF SMILES Flexibase

20614037

Analogs

20614039
20614120
20614121

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N'-(3-hydroxypropyl)oxamide N-[(2S)-2-(1,3-benzodioxol-5-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)	-0.49	-2.86	-10.78	3	9	0	109	379.413	8	↓ MOL2 SDF SMILES Flexibase

20614039

Analogs

20614120
20614121
20614037

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N'-(3-hydroxypropyl)oxamide N-[(2R)-2-(1,3-benzodioxol-5-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)	-0.49	-2.49	-11.13	3	9	0	109	379.413	8	↓ MOL2 SDF SMILES Flexibase

20614057

Analogs

20614059

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2,2-dimethoxyethyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	-0.18	-0.94	-11.17	2	10	0	108	409.439	9	↓ MOL2 SDF SMILES Flexibase

20614059

Analogs

20614057

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(2,2-dimethoxyethyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	-0.18	-0.91	-11.65	2	10	0	108	409.439	9	↓ MOL2 SDF SMILES Flexibase

20614070

Analogs

20614071
25446080
25446084
19819716

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-2,2-dimethyl-propanamide N-[(2S)-2-(1,3-benzodioxol-5-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)	2.80	3.65	-9.7	1	6	0	60	334.416	5	↓ MOL2 SDF SMILES Flexibase

20614071

Analogs

25446080
25446084
20614070

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-2,2-dimethyl-propanamide N-[(2R)-2-(1,3-benzodioxol-5-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)	2.80	3.09	-12.64	1	6	0	60	334.416	5	↓ MOL2 SDF SMILES Flexibase

20614120

Analogs

20614121
39702533
39702534
20614037
20614039

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(3-methoxypropyl)oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	0.13	-0.59	-10.99	2	9	0	98	393.44	9	↓ MOL2 SDF SMILES Flexibase

20614121

Analogs

39702533
39702534
20614037
20614039

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-(3-methoxypropyl)oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	0.13	-0.08	-10.37	2	9	0	98	393.44	9	↓ MOL2 SDF SMILES Flexibase

20614164

Analogs

20614166
20174284
20174287

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-3,3-dimethyl-butanamide N-[(2S)-2-(1,3-benzodioxol-5-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)	2.74	4.3	-8.77	1	6	0	60	348.443	6	↓ MOL2 SDF SMILES Flexibase

20614166

Analogs

20614164

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-3,3-dimethyl-butanamide N-[(2R)-2-(1,3-benzodioxol-5-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)	2.74	3.74	-11.37	1	6	0	60	348.443	6	↓ MOL2 SDF SMILES Flexibase

20614172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-methyl-oxamide N'-[(2S)-2-(1,3-benzodioxol-5-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)	-0.13	-1.25	-10.57	2	8	0	89	335.36	5	↓ MOL2 SDF SMILES Flexibase

20614174

Analogs

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Popular Name: N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-N-methyl-oxamide N'-[(2R)-2-(1,3-benzodioxol-5-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)	-0.13	-0.74	-10	2	8	0	89	335.36	5	↓ MOL2 SDF SMILES Flexibase

14246941

Analogs

14246942
16075210
16075212
16075213
42879815

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Popular Name: 6-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,3-benzodioxol-5-ol 6-[[(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)	1.76	-0.03	-9.71	1	5	0	51	251.282	2	↓ MOL2 SDF SMILES Flexibase

14246942

Analogs

16075210
16075212
16075213
14246941

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(2S)-2-methylmorpholin-4-yl]methyl]-1,3-benzodioxol-5-ol 6-[[(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)	1.76	-0.01	-9.61	1	5	0	51	251.282	2	↓ MOL2 SDF SMILES Flexibase

37324507

Analogs

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Popular Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-morpholino-ethanamine (2S)-2-(7-chloro-1,3-benzodioxol…

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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	0.99	-54.08	3	5	1	59	285.751	3	↓ MOL2 SDF SMILES Flexibase

37324508

Analogs

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-morpholino-ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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	1.06	-54.41	3	5	1	59	285.751	3	↓ MOL2 SDF SMILES Flexibase

37324513

Analogs

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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)	1.80	2.53	-52.99	3	5	1	59	313.805	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.80	4.48	-134.14	4	5	2	60	314.813	3	↓ MOL2 SDF SMILES Flexibase

37324514

Analogs

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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)	1.80	2.75	-54.93	3	5	1	59	313.805	3	↓ MOL2 SDF SMILES Flexibase

37324515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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)	1.80	2.81	-53.14	3	5	1	59	313.805	3	↓ MOL2 SDF SMILES Flexibase

37324518

Analogs

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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)	1.43	1.78	-52.84	3	5	1	59	299.778	3	↓ MOL2 SDF SMILES Flexibase

37324519

Analogs

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Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…

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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)	1.43	1.73	-54.18	3	5	1	59	299.778	3	↓ MOL2 SDF SMILES Flexibase

37324686

Analogs

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Popular Name: (2S)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-morpholino-ethanamine (2S)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.20	1.1	-53.87	3	5	1	59	330.202	3	↓ MOL2 SDF SMILES Flexibase

37324687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-morpholino-ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.20	1.15	-54.21	3	5	1	59	330.202	3	↓ MOL2 SDF SMILES Flexibase

37324692

Analogs

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Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.93	2.64	-52.89	3	5	1	59	358.256	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.93	4.58	-133.94	4	5	2	60	359.264	3	↓ MOL2 SDF SMILES Flexibase

37324693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.93	2.86	-54.71	3	5	1	59	358.256	3	↓ MOL2 SDF SMILES Flexibase

37324694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.93	2.92	-53.02	3	5	1	59	358.256	3	↓ MOL2 SDF SMILES Flexibase

37324697

Analogs

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Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.57	1.89	-52.79	3	5	1	59	344.229	3	↓ MOL2 SDF SMILES Flexibase

37324698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(7-bromo-1,3-benzodioxol-…

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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)	1.57	1.83	-53.98	3	5	1	59	344.229	3	↓ MOL2 SDF SMILES Flexibase

37325593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(1,3-benzodioxol-5-yl)-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)	1.19	2.03	-50.66	3	5	1	59	279.36	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.19	3.96	-130.41	4	5	2	60	280.368	3	↓ MOL2 SDF SMILES Flexibase

37325594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(1,3-benzodioxol-5-yl)-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)	1.19	2.31	-50.82	3	5	1	59	279.36	3	↓ 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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