ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36166200

Analogs

36166203
37841443
37841444
37841683
37841684

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-[(3R)-3-methylmorpholin-4-yl]methanone 1H-indol-3-yl-[(3R)-3-methylmorp…

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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)	1.23	4.67	-12.97	1	4	0	45	244.294	1	↓ MOL2 SDF SMILES Flexibase

36166203

Analogs

37841443
37841444
37841683
37841684
44683552

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-3-yl-[(3S)-3-methylmorpholin-4-yl]methanone 1H-indol-3-yl-[(3S)-3-methylmorp…

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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)	1.23	4.65	-13.57	1	4	0	45	244.294	1	↓ MOL2 SDF SMILES Flexibase

36166302

Analogs

36166304
36166307
36166309

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1H-indol-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)	1.59	5.56	-13.83	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

36166304

Analogs

36166307
36166309
36166302

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-2,5-dimethylmorpholin-4-yl]-(1H-indol-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)	1.59	5.35	-13.33	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

36166307

Analogs

36166309
36166302
36166304

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-(1H-indol-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)	1.59	5.38	-13.03	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

36166309

Analogs

36166302
36166304
36166307

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-(1H-indol-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)	1.59	5.59	-13.6	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

25464358

Analogs

49216546
15630292

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1H-indol-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)	1.85	6.3	-12.64	1	4	0	45	272.348	1	↓ MOL2 SDF SMILES Flexibase

25464363

Analogs

49216546
15630292

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1H-indol-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)	1.85	6.28	-12.66	1	4	0	45	272.348	1	↓ MOL2 SDF SMILES Flexibase

25464372

Analogs

49216546
15630292

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1H-indol-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)	1.85	6.41	-12.3	1	4	0	45	272.348	1	↓ MOL2 SDF SMILES Flexibase

62832237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-morpholino-methanone (5-amino-1H-indol-3-yl)-morpholi…

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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)	-0.05	1.88	-15.46	3	5	0	71	245.282	1	↓ MOL2 SDF SMILES Flexibase

62832257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,6R)…

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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)	0.68	3.38	-15.13	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,6S)…

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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)	0.68	3.55	-15.03	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R,6R)…

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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)	0.68	3.58	-14.59	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R)-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)	0.32	2.63	-15.24	3	5	0	71	259.309	1	↓ MOL2 SDF SMILES Flexibase

62832265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S)-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)	0.32	2.63	-15.34	3	5	0	71	259.309	1	↓ MOL2 SDF SMILES Flexibase

62832521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(3R)-3-…

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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)	0.28	2.52	-14.17	3	5	0	71	259.309	1	↓ MOL2 SDF SMILES Flexibase

62832522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(3S)-3-methylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(3S)-3-…

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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)	0.28	2.5	-14.7	3	5	0	71	259.309	1	↓ MOL2 SDF SMILES Flexibase

62832524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R,5R)…

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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)	0.65	3.42	-15.07	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S,5R)-2,5-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,5R)…

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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)	0.65	3.21	-14.52	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R,5S)…

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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)	0.65	3.23	-14.1	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S,5S)-2,5-dimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,5S)…

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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)	0.65	3.44	-14.72	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R)-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)	0.82	3.46	-15.12	3	5	0	71	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S)-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)	0.82	3.46	-15.16	3	5	0	71	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R,5R)…

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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)	1.18	4.38	-14.64	3	5	0	71	287.363	2	↓ MOL2 SDF SMILES Flexibase

62832556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2R,5S)…

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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)	1.18	3.84	-14.39	3	5	0	71	287.363	2	↓ MOL2 SDF SMILES Flexibase

62832557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,5R)…

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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)	1.18	3.84	-14.15	3	5	0	71	287.363	2	↓ MOL2 SDF SMILES Flexibase

62832558

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(2S,5S)…

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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)	1.18	4.41	-14.29	3	5	0	71	287.363	2	↓ MOL2 SDF SMILES Flexibase

62832586

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (5-amino-1H-indol-3-yl)-(2,2-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	3.48	-14.59	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832589

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-[(3R)-3-ethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(3R)-3-…

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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)	0.82	3.09	-14.36	3	5	0	71	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832590

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(3S)-3-…

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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)	0.82	3.1	-14.58	3	5	0	71	273.336	2	↓ MOL2 SDF SMILES Flexibase

62832774

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone (5-amino-1H-indol-3-yl)-(3,3-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.76	3.17	-14.57	3	5	0	71	273.336	1	↓ MOL2 SDF SMILES Flexibase

62832907

Analogs

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Popular Name: (5-amino-1H-indol-3-yl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(6R)-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)	1.12	4.2	-14.5	3	5	0	71	287.363	1	↓ MOL2 SDF SMILES Flexibase

62832908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-1H-indol-3-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (5-amino-1H-indol-3-yl)-[(6S)-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)	1.12	4.17	-14.81	3	5	0	71	287.363	1	↓ MOL2 SDF SMILES Flexibase

42037907

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Popular Name: (2-methyl-1H-indol-3-yl)-[(2R)-2-methylmorpholin-4-yl]methanone (2-methyl-1H-indol-3-yl)-[(2R)-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)	1.49	5.53	-11.02	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

42037909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methyl-1H-indol-3-yl)-[(2S)-2-methylmorpholin-4-yl]methanone (2-methyl-1H-indol-3-yl)-[(2S)-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)	1.49	5.57	-10.78	1	4	0	45	258.321	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 82684
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 = 82684 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=82684&filter.purchasability=annotated

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', {
        "ring.id": "82684"        

    });
</script>

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