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ZINC Item

Suppliers, Protomers, & Similar Substances

40235576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-N-ethyl-N-(m-tolyl)acetamide 2-(cyclopentylamino)-N-ethyl-N-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	8.76	-41.79	2	3	1	37	261.389	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	7.58	-8.31	1	3	0	32	260.381	5	↓ MOL2 SDF SMILES Flexibase

37083814

Analogs

20294239
22175108

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(3-amino-2-methyl-phenyl)…

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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)	2.71	6.61	-35.48	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083815

Analogs

20294239
22175108

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(3-amino-2-methyl-phenyl)…

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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)	2.71	6.68	-35.49	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083820

Analogs

22209958
22209961

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-amino-4-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(3-amino-4-chloro-phenyl)…

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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)	2.97	6.22	-37.53	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083821

Analogs

22209958
22209961

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-amino-4-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(3-amino-4-chloro-phenyl)…

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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)	2.97	6.26	-36.89	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083825

Analogs

22154367
22156520

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-5-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-amino-5-chloro-phenyl)…

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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)	2.97	6.42	-37.35	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083826

Analogs

22154367
22156520

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-5-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-amino-5-chloro-phenyl)…

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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)	2.97	6.48	-37.67	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083831

Analogs

19259352
20294382
15457880

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-amino-4-fluoro-phenyl)…

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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)	2.45	6.01	-38.89	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083832

Analogs

19259352
20294382
15457880

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-amino-4-fluoro-phenyl)…

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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)	2.45	6.03	-38.46	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083835

Analogs

7760459
7760461
20294271
20294276

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(5-amino-2-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	5.73	-34.29	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083836

Analogs

7760459
7760461
20294271
20294276

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-amino-2-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(5-amino-2-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	5.78	-33.96	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083839

Analogs

7760196
7760198
7760474
7760475

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-amino-4,6-dichloro-phe…

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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)	3.57	6.85	-36.25	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

37083840

Analogs

7760196
7760198
7760474
7760475

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-amino-4,6-dichloro-phe…

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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)	3.57	6.84	-36.53	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

37083841

Analogs

22151846
7760696
35764886

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(2-amino-4,6-dichloro-phenyl)-…

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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	6.9	-39.82	4	4	1	60	317.24	4	↓ MOL2 SDF SMILES Flexibase

37083843

Analogs

7760482
7760483
24156014

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(4-amino-2,6-dichloro-phe…

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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)	3.16	6.78	-32.07	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

37083844

Analogs

7760482
7760483
24156014

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(4-amino-2,6-dichloro-phe…

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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)	3.16	6.94	-37.12	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

37083845

Analogs

40477307
19993880
7760784
19775775

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(4-amino-2,6-dichloro-phenyl)-…

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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)	3.20	6.76	-35.42	4	4	1	60	317.24	4	↓ MOL2 SDF SMILES Flexibase

37083847

Analogs

22153211
29415037
29415035
15457857
15457858

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(4-amino-2-methyl-phenyl)…

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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)	2.33	6.5	-34.9	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083848

Analogs

22153211
29415037
29415035
15457857
15457858

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(4-amino-2-methyl-phenyl)…

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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)	2.33	6.49	-35.32	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083853

Analogs

20294314
20294317
22171329

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(5-amino-2-methyl-phenyl)…

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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)	2.33	6.51	-35.26	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083854

Analogs

20294314
20294317
22171329

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(5-amino-2-methyl-phenyl)…

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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)	2.33	6.57	-35.34	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

37083857

Analogs

20294434
20294436
22154367

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-amino-4-chloro-phenyl)…

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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)	2.97	6.46	-38.07	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083858

Analogs

20294434
20294436
22154367

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-amino-4-chloro-phenyl)…

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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)	2.97	6.48	-37.64	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083866

Analogs

24156037
24156033

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-amino-4-methoxy-phenyl…

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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)	2.34	5.22	-38.11	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-amino-4-methoxy-phenyl…

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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)	2.34	5.25	-37.6	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083868

Analogs

7760505
7760508

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(2-aminophenyl)-2-[cyclop…

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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)	2.31	5.94	-36	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083869

Analogs

7760505
7760508

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(2-aminophenyl)-2-[cyclop…

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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)	2.31	5.96	-35.53	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083870

Analogs

7760498
7760500
22211468

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(4-amino-2-methoxy-phenyl…

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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)	1.94	5.06	-33.78	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083871

Analogs

7760498
7760500
22211468

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(4-amino-2-methoxy-phenyl…

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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)	1.94	5.08	-33.04	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083872

Analogs

35764924
35764925

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(4-aminophenyl)-2-[cyclop…

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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)	1.95	5.64	-35.08	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083873

Analogs

35764924
35764925

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(4-aminophenyl)-2-[cyclop…

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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)	1.95	5.47	-35.54	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083874

Analogs

22152398
22152403

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-amino-4-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(3-amino-4-fluoro-phenyl)…

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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)	2.45	5.73	-38.51	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083875

Analogs

22152398
22152403

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-amino-4-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(3-amino-4-fluoro-phenyl)…

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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)	2.45	5.77	-37.86	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

37083876

Analogs

47550195
22175108
7760657

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Popular Name: N-(3-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(3-amino-2-methyl-phenyl)-2-[c…

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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	6.36	-38.88	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083878

Analogs

22156520
7760631

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[c…

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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)	3.00	6.17	-40.69	4	4	1	60	282.795	4	↓ MOL2 SDF SMILES Flexibase

37083879

Analogs

22172497
7760722
35764936

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(2-amino-4-fluoro-phenyl)-2-[c…

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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)	2.49	5.71	-42.1	4	4	1	60	266.34	4	↓ MOL2 SDF SMILES Flexibase

37083880

Analogs

7760657
36396707
7760630

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(4-amino-2-methyl-phenyl)-2-[c…

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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)	2.37	6.23	-38.27	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083881

Analogs

22171329
7760744
7760774

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(5-amino-2-methyl-phenyl)-2-[c…

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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)	2.37	6.26	-38.61	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083882

Analogs

24156014
24156011
7760482
7760483

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(4-amino-2-chloro-phenyl)…

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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)	2.56	6.26	-33.74	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083883

Analogs

24156014
24156011
7760482
7760483

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-chloro-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(4-amino-2-chloro-phenyl)…

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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)	2.56	6.31	-32.96	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

37083884

Analogs

35764945
35764947

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(3-aminophenyl)-2-[cyclop…

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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	5.64	-35.61	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083885

Analogs

35764945
35764947

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-aminophenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(3-aminophenyl)-2-[cyclop…

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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	5.69	-35.05	4	4	1	60	262.377	4	↓ MOL2 SDF SMILES Flexibase

37083886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-amino-2-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2S)-N-(5-amino-2-methoxy-phenyl…

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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)	1.94	5.03	-33.8	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-amino-2-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]propanamide (2R)-N-(5-amino-2-methoxy-phenyl…

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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)	1.94	5.07	-33.56	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

37083888

Analogs

40477307
19775775

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(4-amino-2-chloro-phenyl)-2-[c…

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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)	2.60	5.97	-36.28	4	4	1	60	282.795	4	↓ MOL2 SDF SMILES Flexibase

37083889

Analogs

7760719
36396676
35764951

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(2-aminophenyl)-2-[cyclopentyl…

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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)	2.35	5.65	-38.88	4	4	1	60	248.35	4	↓ MOL2 SDF SMILES Flexibase

37083890

Analogs

411539
7760767

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(3-amino-4-chloro-phenyl)-2-[c…

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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)	3.00	5.92	-40.27	4	4	1	60	282.795	4	↓ MOL2 SDF SMILES Flexibase

37083891

Analogs

7760749
7760649
27117828
7786592

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(4-amino-2-methoxy-phenyl)-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)	1.97	4.79	-36.34	4	5	1	69	278.376	5	↓ MOL2 SDF SMILES Flexibase

37083892

Analogs

22173151
7760673
3279656

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(5-amino-2-fluoro-phenyl)-2-[c…

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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)	2.08	5.48	-37.56	4	4	1	60	266.34	4	↓ MOL2 SDF SMILES Flexibase

37083893

Analogs

7760156
35764959

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[cyclopentyl(methyl)amino]acetamide N-(4-aminophenyl)-2-[cyclopentyl…

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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)	1.99	5.35	-37.89	4	4	1	60	248.35	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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