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)	2.82	8.42	-40.21	2	3	1	34	261.389	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.82	6.13	-6.6	1	3	0	32	260.381	6	↓ MOL2 SDF SMILES Flexibase

36097727

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclopropanecarboxamide N-[(2R)-2-(dimethylamino)-2-(4-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)	2.82	8.42	-40.8	2	3	1	34	261.389	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.82	5.86	-6.89	1	3	0	32	260.381	6	↓ MOL2 SDF SMILES Flexibase

53347363

Analogs

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Popular Name: (1S,2R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[2-(2,5-dimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	5.21	-10.18	1	4	0	48	263.337	6	↓ MOL2 SDF SMILES Flexibase

53347364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[2-(2,5-dimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	5.17	-10.85	1	4	0	48	263.337	6	↓ MOL2 SDF SMILES Flexibase

53347365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[2-(2,5-dimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	5.17	-10.84	1	4	0	48	263.337	6	↓ MOL2 SDF SMILES Flexibase

53347366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[2-(2,5-dimethoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	5.21	-10.16	1	4	0	48	263.337	6	↓ MOL2 SDF SMILES Flexibase

36113087

Analogs

41698278

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Popular Name: N-[2-(m-tolyl)ethyl]cyclopropanecarboxamide N-[2-(m-tolyl)ethyl]cyclopropane…

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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)	2.52	6.53	-8.77	1	2	0	29	203.285	4	↓ MOL2 SDF SMILES Flexibase

36136624

Analogs

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Popular Name: N-[2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide N-[2-(4-nitrophenyl)ethyl]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)	2.05	6.58	-13.97	1	5	0	75	234.255	5	↓ MOL2 SDF SMILES Flexibase

68873088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(2R)-2-(dimethylamino…

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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)	2.57	6.99	-42.17	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	4.46	-7.63	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

68873091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(2R)-2-(dimethylamino…

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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)	2.57	6.94	-42.91	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	4.41	-8.34	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

68873093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(2R)-2-(dimethylamino…

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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)	2.57	6.94	-42.98	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	4.42	-8.31	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

68873098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(2R)-2-(dimethylamino…

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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)	2.57	6.99	-42.3	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.57	4.46	-7.59	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

57288422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(2R)-2-(dimethylamino…

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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)	2.54	6.99	-40.23	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	4.46	-8.58	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

57288423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(2R)-2-(dimethylamino…

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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)	2.54	6.94	-40.97	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	4.42	-9.27	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

57288424

Analogs

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Popular Name: (1R,2R)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(2R)-2-(dimethylamino…

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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)	2.54	6.94	-41.01	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	4.41	-9.23	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

57288425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(2R)-2-(dimethylamino…

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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)	2.54	6.99	-40.36	2	4	1	43	277.388	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.54	4.46	-8.56	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

57288494

Analogs

44809288
44809289
44809290
44809291

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboxamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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	6.27	-41.11	2	4	1	43	263.361	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	4.61	-9.08	1	4	0	42	262.353	6	↓ MOL2 SDF SMILES Flexibase

57288495

Analogs

44809288
44809289
44809290
44809291

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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	6.28	-41.59	2	4	1	43	263.361	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	3.79	-8.24	1	4	0	42	262.353	6	↓ MOL2 SDF SMILES Flexibase

57288657

Analogs

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Popular Name: (1R,2S)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(2S)-2-(dimethylamino…

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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	9.14	-39.4	2	3	1	34	275.416	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	6.85	-5.86	1	3	0	32	274.408	6	↓ MOL2 SDF SMILES Flexibase

57288658

Analogs

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Popular Name: (1R,2S)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(2R)-2-(dimethylamino…

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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	9.14	-40.06	2	3	1	34	275.416	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	6.58	-6.13	1	3	0	32	274.408	6	↓ MOL2 SDF SMILES Flexibase

57288659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(2S)-2-(dimethylamino…

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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	9.09	-40.18	2	3	1	34	275.416	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	6.8	-6.5	1	3	0	32	274.408	6	↓ MOL2 SDF SMILES Flexibase

57288660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(2R)-2-(dimethylamino…

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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	9.09	-40.7	2	3	1	34	275.416	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.42	6.53	-6.88	1	3	0	32	274.408	6	↓ MOL2 SDF SMILES Flexibase

60962573

Analogs

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Popular Name: N-[2-[4-(difluoromethoxy)phenyl]ethyl]cyclopropanecarboxamide N-[2-[4-(difluoromethoxy)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	5.44	-12.15	1	3	0	38	255.264	6	↓ MOL2 SDF SMILES Flexibase

14246234

Analogs

14246235
14246236
14246237

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Popular Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamid (1R,3R)-2,2-dimethyl-3-(2-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)	3.26	4.63	-15.67	3	5	0	89	350.484	6	↓ MOL2 SDF SMILES Flexibase

14246235

Analogs

14246236
14246237
14246234

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Popular Name: (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamid (1R,3S)-2,2-dimethyl-3-(2-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)	3.26	4.59	-15.04	3	5	0	89	350.484	6	↓ MOL2 SDF SMILES Flexibase

14246236

Analogs

14246237
14246234
14246235

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamid (1S,3R)-2,2-dimethyl-3-(2-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)	3.26	4.77	-17.13	3	5	0	89	350.484	6	↓ MOL2 SDF SMILES Flexibase

14246237

Analogs

14246234
14246235
14246236

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamid (1S,3S)-2,2-dimethyl-3-(2-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)	3.26	4.5	-15.58	3	5	0	89	350.484	6	↓ MOL2 SDF SMILES Flexibase

62838101

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]cyclopropanecarboxamide N-[(2S)-2-amino-2-phenyl-ethyl]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)	-0.60	3.47	-52.88	4	3	1	57	205.281	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.60	3.04	-7.55	3	3	0	55	204.273	4	↓ MOL2 SDF SMILES Flexibase

62838102

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]cyclopropanecarboxamide N-[(2R)-2-amino-2-phenyl-ethyl]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)	-0.60	3.47	-53.18	4	3	1	57	205.281	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.60	3.12	-8.7	3	3	0	55	204.273	4	↓ MOL2 SDF SMILES Flexibase

62838139

Analogs

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Popular Name: (1S,2R)-N-[(2R)-2-amino-2-phenyl-ethyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[(2R)-2-amino-2-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)	0.01	4.18	-52.02	4	3	1	57	219.308	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	3.84	-7.86	3	3	0	55	218.3	4	↓ MOL2 SDF SMILES Flexibase

62838140

Analogs

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Popular Name: (1S,2S)-N-[(2R)-2-amino-2-phenyl-ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[(2R)-2-amino-2-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)	0.01	4.14	-52.86	4	3	1	57	219.308	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	3.79	-8.54	3	3	0	55	218.3	4	↓ MOL2 SDF SMILES Flexibase

62838141

Analogs

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Popular Name: (1R,2R)-N-[(2R)-2-amino-2-phenyl-ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[(2R)-2-amino-2-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)	0.01	4.14	-53.17	4	3	1	57	219.308	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	3.79	-8.57	3	3	0	55	218.3	4	↓ MOL2 SDF SMILES Flexibase

62838142

Analogs

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Popular Name: (1R,2S)-N-[(2R)-2-amino-2-phenyl-ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[(2R)-2-amino-2-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)	0.01	4.18	-52.31	4	3	1	57	219.308	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	3.84	-7.87	3	3	0	55	218.3	4	↓ MOL2 SDF SMILES Flexibase

65566969

Analogs

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Popular Name: (1R,2R)-N-[2-(5-bromo-2-fluoro-phenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[2-(5-bromo-2-fluoro-p…

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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)	3.60	7.19	-8.74	1	2	0	29	300.171	4	↓ MOL2 SDF SMILES Flexibase

65572509

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)ethyl]cyclopropanecarboxamide N-[2-(2,4-dimethylphenyl)ethyl]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)	2.92	6.99	-8.79	1	2	0	29	217.312	4	↓ MOL2 SDF SMILES Flexibase

67084374

Analogs

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Popular Name: (1S,2R)-N-[2-(2-chlorophenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2R)-N-[2-(2-chlorophenyl)eth…

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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	7	-8.23	1	2	0	29	237.73	4	↓ MOL2 SDF SMILES Flexibase

67084375

Analogs

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Popular Name: (1S,2S)-N-[2-(2-chlorophenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[2-(2-chlorophenyl)eth…

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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	6.95	-8.94	1	2	0	29	237.73	4	↓ MOL2 SDF SMILES Flexibase

67084377

Analogs

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Popular Name: (1R,2R)-N-[2-(2-chlorophenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2R)-N-[2-(2-chlorophenyl)eth…

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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	6.95	-8.9	1	2	0	29	237.73	4	↓ MOL2 SDF SMILES Flexibase

67084378

Analogs

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Popular Name: (1R,2S)-N-[2-(2-chlorophenyl)ethyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[2-(2-chlorophenyl)eth…

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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	7	-8.18	1	2	0	29	237.73	4	↓ MOL2 SDF SMILES Flexibase

67084457

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]cyclopropanecarboxamide N-[2-(2-chlorophenyl)ethyl]cyclo…

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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)	2.72	6.28	-8.99	1	2	0	29	223.703	4	↓ MOL2 SDF SMILES Flexibase

66142337

Analogs

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Popular Name: cyclopropanecarboxamide, N-[2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]- cyclopropanecarboxamide, N-[2-(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)	-0.47	-1.7	-9.75	5	5	0	96	250.298	5	↓ MOL2 SDF SMILES Flexibase

66142338

Analogs

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Popular Name: cyclopropanecarboxamide, N-[2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]- cyclopropanecarboxamide, N-[2-(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)	-0.47	0.29	-9.55	5	5	0	96	250.298	5	↓ MOL2 SDF SMILES Flexibase

66142340

Analogs

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Popular Name: cyclopropanecarboxamide, N-[2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]- cyclopropanecarboxamide, N-[2-(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)	-0.47	0.25	-9.78	5	5	0	96	250.298	5	↓ MOL2 SDF SMILES Flexibase

66142341

Analogs

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Popular Name: cyclopropanecarboxamide, N-[2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]- cyclopropanecarboxamide, N-[2-(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)	-0.47	-1.62	-9.74	5	5	0	96	250.298	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 15710
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 = 15710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15710&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": "15710"        

    });
</script>

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