ZINC 12

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)	3.10	10.27	-8.68	0	3	0	24	286.419	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	11.05	-23.37	1	3	0	25	287.427	6	↓ MOL2 SDF SMILES Flexibase

52851373

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-ethyl-acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	3.10	10.27	-8.57	0	3	0	24	286.419	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	11.05	-23.37	1	3	0	25	287.427	6	↓ MOL2 SDF SMILES Flexibase

52878684

Analogs

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Popular Name: (2R)-2-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]-2-phenyl-propanoic (2R)-2-[[2-[(1S)-cyclopent-2-en-…

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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)	2.26	8.69	-57.32	1	4	-1	69	272.324	5	↓ MOL2 SDF SMILES Flexibase

52878687

Analogs

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Popular Name: (2S)-2-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]-2-phenyl-propanoic (2S)-2-[[2-[(1S)-cyclopent-2-en-…

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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)	2.26	8.69	-58.91	1	4	-1	69	272.324	5	↓ MOL2 SDF SMILES Flexibase

52878689

Analogs

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Popular Name: (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-2-phenyl-propanoic (2R)-2-[[2-[(1R)-cyclopent-2-en-…

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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)	2.26	8.69	-58.92	1	4	-1	69	272.324	5	↓ MOL2 SDF SMILES Flexibase

52878691

Analogs

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Popular Name: (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-2-phenyl-propanoic (2S)-2-[[2-[(1R)-cyclopent-2-en-…

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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)	2.26	8.69	-57.31	1	4	-1	69	272.324	5	↓ MOL2 SDF SMILES Flexibase

52898841

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	1.36	5.67	-51.4	4	3	1	57	259.373	6	↓ MOL2 SDF SMILES Flexibase

52898843

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	1.36	5.67	-51.4	4	3	1	57	259.373	6	↓ MOL2 SDF SMILES Flexibase

53307519

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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	9.99	-8	0	2	0	20	261.34	4	↓ MOL2 SDF SMILES Flexibase

53307521

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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	9.21	-8.75	0	2	0	20	261.34	4	↓ MOL2 SDF SMILES Flexibase

53307523

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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	9.99	-8.01	0	2	0	20	261.34	4	↓ MOL2 SDF SMILES Flexibase

53307525

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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	9.21	-8.97	0	2	0	20	261.34	4	↓ MOL2 SDF SMILES Flexibase

53337559

Analogs

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Popular Name: 3-[benzyl-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]propanamide 3-[benzyl-[2-[(1S)-cyclopent-2-e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	6.68	-11.75	2	4	0	63	286.375	7	↓ MOL2 SDF SMILES Flexibase

53337562

Analogs

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Popular Name: 3-[benzyl-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanamide 3-[benzyl-[2-[(1R)-cyclopent-2-e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	6.68	-11.24	2	4	0	63	286.375	7	↓ MOL2 SDF SMILES Flexibase

19441598

Analogs

37863534

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Popular Name: 4-[[[2-[(1S)-1-cyclopent-2-enyl]acetyl]amino]methyl]benzoic 4-[[[2-[(1S)-1-cyclopent-2-enyl]…

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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)	2.29	6.43	-52.92	1	4	-1	69	258.297	5	↓ MOL2 SDF SMILES Flexibase

19441600

Analogs

37863534

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Popular Name: 4-[[[2-[(1R)-1-cyclopent-2-enyl]acetyl]amino]methyl]benzoic 4-[[[2-[(1R)-1-cyclopent-2-enyl]…

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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)	2.29	6.44	-52.88	1	4	-1	69	258.297	5	↓ MOL2 SDF SMILES Flexibase

54745504

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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)	3.26	8.01	-10.72	1	3	0	38	327.346	8	↓ MOL2 SDF SMILES Flexibase

54745506

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	3.26	8.01	-10.72	1	3	0	38	327.346	8	↓ MOL2 SDF SMILES Flexibase

54749132

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide N-[(1S)-1-(4-chlorophenyl)propyl…

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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)	3.22	8.82	-6.54	1	2	0	29	277.795	5	↓ MOL2 SDF SMILES Flexibase

54749133

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide N-[(1R)-1-(4-chlorophenyl)propyl…

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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)	3.22	8.82	-6.47	1	2	0	29	277.795	5	↓ MOL2 SDF SMILES Flexibase

54749134

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)propyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide N-[(1S)-1-(4-chlorophenyl)propyl…

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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)	3.22	8.82	-6.49	1	2	0	29	277.795	5	↓ MOL2 SDF SMILES Flexibase

54749135

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide N-[(1R)-1-(4-chlorophenyl)propyl…

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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)	3.22	8.82	-6.55	1	2	0	29	277.795	5	↓ MOL2 SDF SMILES Flexibase

58308183

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[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	9.13	-46.17	1	4	-1	69	306.769	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	7.13	-7.65	2	4	0	66	307.777	6	↓ MOL2 SDF SMILES Flexibase

58308185

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[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	9.39	-50.98	1	4	-1	69	306.769	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	7.4	-13.46	2	4	0	66	307.777	6	↓ MOL2 SDF SMILES Flexibase

58308187

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[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	9.13	-44.92	1	4	-1	69	306.769	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	7.13	-7.72	2	4	0	66	307.777	6	↓ MOL2 SDF SMILES Flexibase

58308188

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[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	9.39	-52.61	1	4	-1	69	306.769	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	7.4	-14.08	2	4	0	66	307.777	6	↓ MOL2 SDF SMILES Flexibase

58309657

Analogs

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Popular Name: N-benzyl-N-(cyanomethyl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide N-benzyl-N-(cyanomethyl)-2-[(1S)…

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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)	2.41	9.69	-12.64	0	3	0	44	254.333	5	↓ MOL2 SDF SMILES Flexibase

58309659

Analogs

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Popular Name: N-benzyl-N-(cyanomethyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide N-benzyl-N-(cyanomethyl)-2-[(1R)…

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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)	2.41	9.69	-13.37	0	3	0	44	254.333	5	↓ MOL2 SDF SMILES Flexibase

61468134

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	2.94	7.69	-7.42	1	2	0	29	229.323	4	↓ MOL2 SDF SMILES Flexibase

52396288

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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)	2.94	10.11	-40.69	2	3	1	34	301.454	8	↓ MOL2 SDF SMILES Flexibase

52396289

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	2.94	10.11	-40.77	2	3	1	34	301.454	8	↓ MOL2 SDF SMILES Flexibase

52397267

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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)	2.89	10.36	-35.41	2	3	1	34	301.454	8	↓ MOL2 SDF SMILES Flexibase

52397268

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	2.89	10.37	-36.04	2	3	1	34	301.454	8	↓ MOL2 SDF SMILES Flexibase

14804312

Analogs

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Popular Name: 2-[(1S)-1-cyclopent-2-enyl]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide 2-[(1S)-1-cyclopent-2-enyl]-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)	1.65	6.01	-17.32	1	5	0	66	322.43	6	↓ MOL2 SDF SMILES Flexibase

14804314

Analogs

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Popular Name: 2-[(1R)-1-cyclopent-2-enyl]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide 2-[(1R)-1-cyclopent-2-enyl]-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)	1.65	6	-16.43	1	5	0	66	322.43	6	↓ MOL2 SDF SMILES Flexibase

62888004

Analogs

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Popular Name: N-allyl-2-[(1R)-cyclopent-2-en-1-yl]-N-[(3-nitrophenyl)methyl]acetamide N-allyl-2-[(1R)-cyclopent-2-en-1…

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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)	3.20	11.19	-15.82	0	5	0	66	300.358	7	↓ MOL2 SDF SMILES Flexibase

62999251

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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)	1.93	4.52	-7.39	2	3	0	49	245.322	5	↓ MOL2 SDF SMILES Flexibase

62999252

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide 2-[(1S)-cyclopent-2-en-1-yl]-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)	1.93	4.52	-7.43	2	3	0	49	245.322	5	↓ MOL2 SDF SMILES Flexibase

62999253

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-2-hydroxy-1-phenyl-ethyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	1.93	4.52	-7.42	2	3	0	49	245.322	5	↓ MOL2 SDF SMILES Flexibase

62999254

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide 2-[(1R)-cyclopent-2-en-1-yl]-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)	1.93	4.52	-7.39	2	3	0	49	245.322	5	↓ MOL2 SDF SMILES Flexibase

65529788

Analogs

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Popular Name: methyl methyl

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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)	2.68	8.07	-11.11	1	4	0	55	309.312	6	↓ MOL2 SDF SMILES Flexibase

65529790

Analogs

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Popular Name: methyl methyl

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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)	2.68	8.04	-11.72	1	4	0	55	309.312	6	↓ MOL2 SDF SMILES Flexibase

65529794

Analogs

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Popular Name: methyl methyl

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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)	2.68	8.07	-11.55	1	4	0	55	309.312	6	↓ MOL2 SDF SMILES Flexibase

65529798

Analogs

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Popular Name: methyl methyl

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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)	2.68	8.04	-11.23	1	4	0	55	309.312	6	↓ MOL2 SDF SMILES Flexibase

66965707

Analogs

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Popular Name: 4-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-N,N-dimethyl-benzamide 4-[[[2-[(1S)-cyclopent-2-en-1-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)	1.35	6.71	-13.01	1	4	0	49	286.375	5	↓ MOL2 SDF SMILES Flexibase

66965711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-N,N-dimethyl-benzamide 4-[[[2-[(1R)-cyclopent-2-en-1-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)	1.35	6.71	-13.2	1	4	0	49	286.375	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 10431
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 = 10431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10431&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": "10431"        

    });
</script>

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