ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

50907077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-indol-2-yl-(4-propyl-1-piperidyl)methanone 1H-indol-2-yl-(4-propyl-1-piperi…

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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)	4.23	8.89	-8.65	1	3	0	36	270.376	3	↓ MOL2 SDF SMILES Flexibase

20892190

Analogs

20892194
36165896
36165897
36165899

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(2R)-2-ethyl-1-piperidyl]-(1H-i…

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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)	3.61	8.07	-9.49	1	3	0	36	256.349	2	↓ MOL2 SDF SMILES Flexibase

20892194

Analogs

36165896
36165897
36165899
20892190

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(2S)-2-ethyl-1-piperidyl]-(1H-i…

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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)	3.61	8.07	-9.43	1	3	0	36	256.349	2	↓ MOL2 SDF SMILES Flexibase

20898330

Analogs

20898332
20898334
70269797
12925426
12925431

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(3R,5R)-3,5-dimethyl-1-piperidy…

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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)	3.46	8.25	-9.79	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

20898332

Analogs

20898334
70269797
12925426
12925431
20898330

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5S)-3,5-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(3R,5S)-3,5-dimethyl-1-piperidy…

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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)	3.46	8	-9.7	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

20898334

Analogs

70269797
12925426
12925431
20898330

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(3S,5S)-3,5-dimethyl-1-piperidy…

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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)	3.46	8.25	-9.71	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

36165896

Analogs

36165897
36165899
37983902
12924804
12924811

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(2S,6R)-2,6-dimethyl-1-piperidy…

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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)	3.40	7.37	-6.35	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

36165897

Analogs

36165899
37983902
12924804
12924811
36165896

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(2S,6S)-2,6-dimethyl-1-piperidy…

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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)	3.41	8.03	-7.69	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

36165899

Analogs

37983902
12924804
12924811
36165896

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethyl-1-piperidyl]-(1H-indol-2-yl)methanone [(2R,6R)-2,6-dimethyl-1-piperidy…

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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)	3.41	8.14	-7.84	1	3	0	36	256.349	1	↓ MOL2 SDF SMILES Flexibase

36753512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-aminopiperidin-1-yl)(1H-indol-2-yl)methanone (4-aminopiperidin-1-yl)(1H-indol…

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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	4.11	-55.02	4	4	1	64	244.318	1	↓ MOL2 SDF SMILES Flexibase

58316039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(diethylaminomethyl)-1-piperidyl]-(1-methylindol-2-yl)methanone [4-(diethylaminomethyl)-1-piperi…

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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)	3.46	11	-43.9	1	4	1	30	328.48	5	↓ MOL2 SDF SMILES Flexibase

58330526

Analogs

26144836

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(diethylaminomethyl)-1-piperidyl]-(6-methoxy-1H-indol-2-yl)methanone [4-(diethylaminomethyl)-1-piperi…

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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)	3.42	9.49	-44.76	2	5	1	50	344.479	6	↓ MOL2 SDF SMILES Flexibase

58342119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(diethylaminomethyl)-1-piperidyl]-(5-nitro-1H-indol-2-yl)methanone [4-(diethylaminomethyl)-1-piperi…

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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)	3.33	10.89	-51.28	2	7	1	86	359.45	6	↓ MOL2 SDF SMILES Flexibase

62833590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-(4-hydroxy-1-piperidyl)methanone (7-amino-1H-indol-2-yl)-(4-hydro…

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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)	0.30	1.43	-11.51	4	5	0	82	259.309	1	↓ MOL2 SDF SMILES Flexibase

62833593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide (3S)-1-(7-amino-1H-indole-2-carb…

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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)	0.78	1.4	-12.11	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62833594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide (3R)-1-(7-amino-1H-indole-2-carb…

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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)	0.78	1.4	-12.16	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62833618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2S,6R)-2,6-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-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)	2.84	5.24	-6.91	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2S,6S)-2,6-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-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)	2.84	5.92	-8.47	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2R,6R)-2,6-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-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)	2.84	6.02	-8.64	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.81	2.66	-12.81	4	5	0	82	287.363	3	↓ MOL2 SDF SMILES Flexibase

62833626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.81	2.6	-12.74	4	5	0	82	287.363	3	↓ MOL2 SDF SMILES Flexibase

62833627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-amino-1H-indole-2-carbonyl)piperidine-4-carboxamide 1-(7-amino-1H-indole-2-carbonyl)…

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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)	0.78	1.43	-16.54	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62833669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[4-(hydroxymethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[4-(hydr…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	2.06	-11.1	4	5	0	82	273.336	2	↓ MOL2 SDF SMILES Flexibase

62833713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(3S)-3-hydroxy-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.03	1.4	-10.29	4	5	0	82	259.309	1	↓ MOL2 SDF SMILES Flexibase

62833714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(3R)-3-hydroxy-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.03	1.42	-10.23	4	5	0	82	259.309	1	↓ MOL2 SDF SMILES Flexibase

62833741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2R)-2-(hydroxymethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.53	3.56	-9.52	4	5	0	82	273.336	2	↓ MOL2 SDF SMILES Flexibase

62833742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.53	3.5	-9.34	4	5	0	82	273.336	2	↓ MOL2 SDF SMILES Flexibase

62833750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[4-(dimethylamino)-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[4-(dime…

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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)	1.69	5.77	-46.88	4	5	1	67	287.387	2	↓ MOL2 SDF SMILES Flexibase

62833753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(3S)-3-(hydroxymethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.41	2.04	-13.44	4	5	0	82	273.336	2	↓ MOL2 SDF SMILES Flexibase

62833754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(3R)-3-(hydroxymethyl)-1-piperidyl]methanone (7-amino-1H-indol-2-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)	1.41	2.04	-13.28	4	5	0	82	273.336	2	↓ MOL2 SDF SMILES Flexibase

62833787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(7-amino-1H-indole-2-carbonyl)piperidine-2-carboxamide (2R)-1-(7-amino-1H-indole-2-carb…

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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)	1.46	2.72	-18.22	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62833788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(7-amino-1H-indole-2-carbonyl)piperidine-2-carboxamide (2S)-1-(7-amino-1H-indole-2-carb…

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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)	1.46	2.67	-18.34	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62833854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-(4-ethoxy-1-piperidyl)methanone (7-amino-1H-indol-2-yl)-(4-ethox…

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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)	1.29	4.73	-10.87	3	5	0	71	287.363	3	↓ MOL2 SDF SMILES Flexibase

62833915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-amino-1H-indol-2-yl)-[(3R)-3-ethoxy-1-piperidyl]methanone (7-amino-1H-indol-2-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)	2.02	4.72	-9.84	3	5	0	71	287.363	3	↓ MOL2 SDF SMILES Flexibase

62833916

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(3S)-3-ethoxy-1-piperidyl]methanone (7-amino-1H-indol-2-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)	2.02	4.73	-9.85	3	5	0	71	287.363	3	↓ MOL2 SDF SMILES Flexibase

62833993

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2R,3R)-2,3-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2R,3R)…

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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)	2.75	5.82	-9.85	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833994

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2R,3S)-2,3-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2R,3S)…

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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)	2.75	5.86	-8.67	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833995

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2S,3R)-2,3-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2S,3R)…

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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)	2.75	5.83	-8.62	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833996

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2S,3S)-2,3-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2S,3S)…

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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)	2.75	5.81	-9.76	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62833999

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-(4-propyl-1-piperidyl)methanone (7-amino-1H-indol-2-yl)-(4-propy…

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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)	3.66	6.77	-9.47	3	4	0	62	285.391	3	↓ MOL2 SDF SMILES Flexibase

62834002

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2R,4R)-2,4-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2R,4R)…

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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)	2.75	6.01	-8.67	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834003

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2R,4S)-2,4-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2R,4S)…

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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)	2.75	5.95	-9.59	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834004

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2S,4R)-2,4-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2S,4R)…

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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)	2.75	5.94	-9.51	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834005

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-[(2S,4S)-2,4-dimethyl-1-piperidyl]methanone (7-amino-1H-indol-2-yl)-[(2S,4S)…

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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)	2.75	5.98	-8.7	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834048

Analogs

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Popular Name: (7-amino-1H-indol-2-yl)-(4,4-dimethyl-1-piperidyl)methanone (7-amino-1H-indol-2-yl)-(4,4-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)	2.83	5.65	-9.15	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834068

Analogs

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Popular Name: (5-amino-1H-indol-2-yl)-(4-hydroxy-1-piperidyl)methanone (5-amino-1H-indol-2-yl)-(4-hydro…

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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)	-0.08	1.42	-11.91	4	5	0	82	259.309	1	↓ MOL2 SDF SMILES Flexibase

62834071

Analogs

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Popular Name: (3S)-1-(5-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide (3S)-1-(5-amino-1H-indole-2-carb…

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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)	0.39	1.38	-12.38	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62834072

Analogs

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Popular Name: (3R)-1-(5-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide (3R)-1-(5-amino-1H-indole-2-carb…

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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)	0.39	1.39	-12.43	5	6	0	105	286.335	2	↓ MOL2 SDF SMILES Flexibase

62834101

Analogs

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Popular Name: (5-amino-1H-indol-2-yl)-[(2S,6R)-2,6-dimethyl-1-piperidyl]methanone (5-amino-1H-indol-2-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)	2.46	5.24	-7.23	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

62834102

Analogs

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Popular Name: (5-amino-1H-indol-2-yl)-[(2S,6S)-2,6-dimethyl-1-piperidyl]methanone (5-amino-1H-indol-2-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)	2.46	5.9	-8.79	3	4	0	62	271.364	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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