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)	1.24	4.57	-47.07	3	2	1	37	232.225	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.24	4.25	-2.32	2	2	0	35	231.217	4	↓ MOL2 SDF SMILES Flexibase

61703544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl[3-(trifluoromethoxy)phenyl]methanamine cyclopropyl[3-(trifluoromethoxy)…

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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)	1.24	4.78	-47.52	3	2	1	37	232.225	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.24	4.47	-2.65	2	2	0	35	231.217	4	↓ MOL2 SDF SMILES Flexibase

61703627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (1R)-1-cyclopropyl-N-methyl-1-[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)	3.50	6.01	-42.49	2	2	1	26	246.252	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	5.04	-2.22	1	2	0	21	245.244	5	↓ MOL2 SDF SMILES Flexibase

61703628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (1S)-1-cyclopropyl-N-methyl-1-[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)	3.50	6.28	-42.23	2	2	1	26	246.252	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	5.19	-2.35	1	2	0	21	245.244	5	↓ MOL2 SDF SMILES Flexibase

61703629

Analogs

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Popular Name: N-[(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine N-[(R)-cyclopropyl-[3-(trifluoro…

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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)	3.87	6.9	-40.58	2	2	1	26	260.279	6	↓ MOL2 SDF SMILES Flexibase

61703630

Analogs

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Popular Name: N-[(S)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine N-[(S)-cyclopropyl-[3-(trifluoro…

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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)	3.87	7.13	-40.43	2	2	1	26	260.279	6	↓ MOL2 SDF SMILES Flexibase

61703631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine N-[(R)-cyclopropyl-[3-(trifluoro…

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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)	4.37	7.65	-41.43	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

61703632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine N-[(S)-cyclopropyl-[3-(trifluoro…

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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)	4.37	7.88	-41.31	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

35498812

Analogs

35498814

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-(4-isopropoxyphenyl)-N-methyl-methanamine (1R)-1-cyclopropyl-1-(4-isopropo…

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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	7.06	-39.57	2	2	1	26	220.336	5	↓ MOL2 SDF SMILES Flexibase

35498814

Analogs

35498812

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-(4-isopropoxyphenyl)-N-methyl-methanamine (1S)-1-cyclopropyl-1-(4-isopropo…

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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	7.34	-39.3	2	2	1	26	220.336	5	↓ MOL2 SDF SMILES Flexibase

35498911

Analogs

35498913
35498915
35498916

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isopropoxyphenyl)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]methanamine (1S)-1-(4-isopropoxyphenyl)-N-me…

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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)	3.95	7.36	-39.91	2	2	1	26	234.363	5	↓ MOL2 SDF SMILES Flexibase

35498913

Analogs

35498915
35498916
35498911

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isopropoxyphenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(4-isopropoxyphenyl)-N-me…

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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)	3.95	7.84	-40.37	2	2	1	26	234.363	5	↓ MOL2 SDF SMILES Flexibase

35498915

Analogs

35498916
35498911
35498913

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isopropoxyphenyl)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine (1S)-1-(4-isopropoxyphenyl)-N-me…

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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)	3.95	8.02	-40.37	2	2	1	26	234.363	5	↓ MOL2 SDF SMILES Flexibase

35498916

Analogs

35498911
35498913
35498915

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-isopropoxyphenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(4-isopropoxyphenyl)-N-me…

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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)	3.95	7.6	-39.77	2	2	1	26	234.363	5	↓ MOL2 SDF SMILES Flexibase

35499256

Analogs

35499257

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Popular Name: (1R)-1-cyclopropyl-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-methanamine (1R)-1-cyclopropyl-1-(5-fluoro-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)	2.70	6.22	-36.85	2	2	1	26	210.272	4	↓ MOL2 SDF SMILES Flexibase

35499257

Analogs

35499256

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Popular Name: (1S)-1-cyclopropyl-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-methanamine (1S)-1-cyclopropyl-1-(5-fluoro-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)	2.70	6.21	-37.04	2	2	1	26	210.272	4	↓ MOL2 SDF SMILES Flexibase

35499366

Analogs

35499368
35499370
35499372

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]methanamine (1S)-1-(5-fluoro-2-methoxy-pheny…

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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)	3.31	6.35	-35.97	2	2	1	26	224.299	4	↓ MOL2 SDF SMILES Flexibase

35499368

Analogs

35499370
35499372
35499366

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(5-fluoro-2-methoxy-pheny…

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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)	3.31	6.52	-36.83	2	2	1	26	224.299	4	↓ MOL2 SDF SMILES Flexibase

35499370

Analogs

35499372
35499366
35499368

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine (1S)-1-(5-fluoro-2-methoxy-pheny…

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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)	3.31	6.88	-37.75	2	2	1	26	224.299	4	↓ MOL2 SDF SMILES Flexibase

35499372

Analogs

35499366
35499368
35499370

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(5-fluoro-2-methoxy-pheny…

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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)	3.31	6.25	-36.17	2	2	1	26	224.299	4	↓ MOL2 SDF SMILES Flexibase

35500822

Analogs

35500823
35500840
35500841
35500816
35500817

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-bromo-4,5-diethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1R)-1-(2-bromo-4,5-diethoxy-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)	3.69	7.71	-42.2	2	3	1	35	329.258	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	7.12	-4.53	1	3	0	30	328.25	7	↓ MOL2 SDF SMILES Flexibase

35500823

Analogs

35500840
35500841
35500816
35500817
35500818

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-bromo-4,5-diethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1S)-1-(2-bromo-4,5-diethoxy-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)	3.69	7.79	-36.62	2	3	1	35	329.258	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.69	7.49	-4.53	1	3	0	30	328.25	7	↓ MOL2 SDF SMILES Flexibase

35500836

Analogs

35500837
35500838
35500839

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-bromo-4,5-diethoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1R)-1-(2-bromo-4,5-diethoxy-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)	4.29	8.61	-39.84	2	3	1	35	343.285	7	↓ MOL2 SDF SMILES Flexibase

35500837

Analogs

35500838
35500839
35500836

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Popular Name: (1S)-1-(2-bromo-4,5-diethoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-bromo-4,5-diethoxy-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)	4.29	8.21	-40.9	2	3	1	35	343.285	7	↓ MOL2 SDF SMILES Flexibase

35500838

Analogs

35500839
35500836
35500837

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Popular Name: (1R)-1-(2-bromo-4,5-diethoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1R)-1-(2-bromo-4,5-diethoxy-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)	4.29	8.47	-42.46	2	3	1	35	343.285	7	↓ MOL2 SDF SMILES Flexibase

35500839

Analogs

35500836
35500837
35500838

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-bromo-4,5-diethoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-bromo-4,5-diethoxy-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)	4.29	8.35	-42.33	2	3	1	35	343.285	7	↓ MOL2 SDF SMILES Flexibase

35501080

Analogs

35501081
35501098
35501099
35501074
35501075

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chloro-4,5-diethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1R)-1-(2-chloro-4,5-diethoxy-ph…

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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)	3.55	7.63	-42.63	2	3	1	35	284.807	7	↓ MOL2 SDF SMILES Flexibase

35501081

Analogs

35501098
35501099
35501074
35501075
35501076

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-diethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1S)-1-(2-chloro-4,5-diethoxy-ph…

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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)	3.55	7.7	-37.09	2	3	1	35	284.807	7	↓ MOL2 SDF SMILES Flexibase

35501094

Analogs

35501095
35501096
35501097

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chloro-4,5-diethoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1R)-1-(2-chloro-4,5-diethoxy-ph…

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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)	4.16	8.58	-40.06	2	3	1	35	298.834	7	↓ MOL2 SDF SMILES Flexibase

35501095

Analogs

35501096
35501097
35501094

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-diethoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-diethoxy-ph…

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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)	4.16	8.15	-41.15	2	3	1	35	298.834	7	↓ MOL2 SDF SMILES Flexibase

35501096

Analogs

35501097
35501094
35501095

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chloro-4,5-diethoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1R)-1-(2-chloro-4,5-diethoxy-ph…

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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)	4.16	8.41	-42.44	2	3	1	35	298.834	7	↓ MOL2 SDF SMILES Flexibase

35501097

Analogs

35501094
35501095
35501096

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-diethoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-diethoxy-ph…

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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)	4.16	8.28	-42.69	2	3	1	35	298.834	7	↓ MOL2 SDF SMILES Flexibase

35501262

Analogs

35501263
35501298
35501299
35501250
35501251

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chloro-4,5-dimethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1R)-1-(2-chloro-4,5-dimethoxy-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)	2.80	5.78	-42.5	2	3	1	35	256.753	5	↓ MOL2 SDF SMILES Flexibase

35501263

Analogs

35501298
35501299
35501250
35501251
35501252

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-dimethoxy-phenyl)-1-cyclopropyl-N-methyl-methanamine (1S)-1-(2-chloro-4,5-dimethoxy-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)	2.80	5.77	-42.4	2	3	1	35	256.753	5	↓ MOL2 SDF SMILES Flexibase

35501292

Analogs

35501293
35501294
35501295

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-dimethoxy-phenyl)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-dimethoxy-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)	3.41	6.51	-40.85	2	3	1	35	270.78	5	↓ MOL2 SDF SMILES Flexibase

35501293

Analogs

35501294
35501295
35501292

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-dimethoxy-phenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-dimethoxy-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)	3.41	6.44	-42.61	2	3	1	35	270.78	5	↓ MOL2 SDF SMILES Flexibase

35501294

Analogs

35501295
35501292
35501293

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-dimethoxy-phenyl)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-dimethoxy-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)	3.41	6.66	-41.91	2	3	1	35	270.78	5	↓ MOL2 SDF SMILES Flexibase

35501295

Analogs

35501292
35501293
35501294

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chloro-4,5-dimethoxy-phenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(2-chloro-4,5-dimethoxy-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)	3.41	6.3	-41.12	2	3	1	35	270.78	5	↓ MOL2 SDF SMILES Flexibase

35501585

Analogs

35501586

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1R)-1-cyclopropyl-1-(3,4-dichlo…

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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)	3.83	7.24	-44.45	2	1	1	17	231.146	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	6.24	-2.23	1	1	0	12	230.138	3	↓ MOL2 SDF SMILES Flexibase

35501586

Analogs

35501585

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1S)-1-cyclopropyl-1-(3,4-dichlo…

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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)	3.83	7.47	-44.46	2	1	1	17	231.146	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	6.82	-1.79	1	1	0	12	230.138	3	↓ MOL2 SDF SMILES Flexibase

35501639

Analogs

35501640
35501641
35501642

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]methanamine (1S)-1-(3,4-dichlorophenyl)-N-me…

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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)	4.44	7.46	-44.36	2	1	1	17	245.173	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.44	7.38	-2.13	1	1	0	12	244.165	3	↓ MOL2 SDF SMILES Flexibase

35501640

Analogs

35501641
35501642
35501639

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine (1S)-1-(3,4-dichlorophenyl)-N-me…

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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)	4.44	7.97	-44.84	2	1	1	17	245.173	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.44	6.92	-2.2	1	1	0	12	244.165	3	↓ MOL2 SDF SMILES Flexibase

35501641

Analogs

35501642
35501639
35501640

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-methyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine (1S)-1-(3,4-dichlorophenyl)-N-me…

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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)	4.44	8.14	-44.92	2	1	1	17	245.173	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.44	7.55	-2.04	1	1	0	12	244.165	3	↓ MOL2 SDF SMILES Flexibase

35501642

Analogs

35501576
35501577
35501639
35501640
35501641

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-methyl-1-[(1R,2S)-2-methylcyclopropyl]methanamine (1S)-1-(3,4-dichlorophenyl)-N-me…

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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)	4.44	7.68	-44.09	2	1	1	17	245.173	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.44	8.12	-2.03	1	1	0	12	244.165	3	↓ MOL2 SDF SMILES Flexibase

35501951

Analogs

35501952

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1R)-1-cyclopropyl-1-(2,5-dichlo…

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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)	3.83	7.07	-37.47	2	1	1	17	231.146	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	6.26	-1.37	1	1	0	12	230.138	3	↓ MOL2 SDF SMILES Flexibase

35501952

Analogs

35501951

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1S)-1-cyclopropyl-1-(2,5-dichlo…

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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)	3.83	7.16	-33.4	2	1	1	17	231.146	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	6.33	-1.37	1	1	0	12	230.138	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 8031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
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