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ZINC Item

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54681293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(1-methylpyrrol-2-yl)-1-phenyl-ethanamine (1S)-2-(1-methylpyrrol-2-yl)-1-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)	0.45	6.45	-41.53	3	2	1	33	201.293	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.45	6.12	-4.46	2	2	0	31	200.285	3	↓ MOL2 SDF SMILES Flexibase

54681297

Analogs

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Popular Name: (1R)-2-(1-methylpyrrol-2-yl)-1-phenyl-ethanamine (1R)-2-(1-methylpyrrol-2-yl)-1-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)	0.45	6.54	-44	3	2	1	33	201.293	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.45	6.1	-4.83	2	2	0	31	200.285	3	↓ MOL2 SDF SMILES Flexibase

54681470

Analogs

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Popular Name: (1R)-1-phenyl-2-(1H-pyrrol-2-yl)ethanamine (1R)-1-phenyl-2-(1H-pyrrol-2-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)	0.38	4.81	-41.79	4	2	1	43	187.266	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	4.51	-4.41	3	2	0	42	186.258	3	↓ MOL2 SDF SMILES Flexibase

54681474

Analogs

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Popular Name: (1S)-1-phenyl-2-(1H-pyrrol-2-yl)ethanamine (1S)-1-phenyl-2-(1H-pyrrol-2-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)	0.38	4.82	-43.86	4	2	1	43	187.266	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.38	4.46	-4.47	3	2	0	42	186.258	3	↓ MOL2 SDF SMILES Flexibase

69233885

Analogs

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Popular Name: (1R)-2-(4-bromophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(4-bromophenyl)-1-(3,4,5-…

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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	6.74	-6.01	2	2	0	36	308.219	3	↓ MOL2 SDF SMILES Flexibase

69233886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-bromophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(4-bromophenyl)-1-(3,4,5-…

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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	6.76	-6	2	2	0	36	308.219	3	↓ MOL2 SDF SMILES Flexibase

69233895

Analogs

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Popular Name: (1R)-2-(3,4-dichlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3,4-dichlorophenyl)-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)	4.34	7.08	-6.84	2	2	0	36	298.213	3	↓ MOL2 SDF SMILES Flexibase

69233896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3,4-dichlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3,4-dichlorophenyl)-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)	4.34	7.1	-6.75	2	2	0	36	298.213	3	↓ MOL2 SDF SMILES Flexibase

69233922

Analogs

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Popular Name: (1R)-2-(2-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(2-chlorophenyl)-1-(3,4,5…

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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	6.5	-6.2	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69233923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(2-chlorophenyl)-1-(3,4,5…

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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	6.88	-5.22	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69233938

Analogs

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Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(2-chloro-6-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)	3.81	6.64	-5.65	2	2	0	36	281.758	3	↓ MOL2 SDF SMILES Flexibase

69233939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(2-chloro-6-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)	3.81	6.81	-5.58	2	2	0	36	281.758	3	↓ MOL2 SDF SMILES Flexibase

69233983

Analogs

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Popular Name: (1S,2S)-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)butan-1-ol (1S,2S)-2-phenyl-1-(3,4,5-trimet…

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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)	4.20	6.77	-5.03	2	2	0	36	257.377	4	↓ MOL2 SDF SMILES Flexibase

69233984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)butan-1-ol (1S,2R)-2-phenyl-1-(3,4,5-trimet…

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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)	4.20	7.64	-4.75	2	2	0	36	257.377	4	↓ MOL2 SDF SMILES Flexibase

69233985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)butan-1-ol (1R,2S)-2-phenyl-1-(3,4,5-trimet…

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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)	4.20	7.65	-4.84	2	2	0	36	257.377	4	↓ MOL2 SDF SMILES Flexibase

69233986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)butan-1-ol (1R,2R)-2-phenyl-1-(3,4,5-trimet…

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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)	4.20	7.56	-3.66	2	2	0	36	257.377	4	↓ MOL2 SDF SMILES Flexibase

69234051

Analogs

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Popular Name: (1S,2S,3R)-3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-ol (1S,2S,3R)-3-methyl-2-phenyl-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)	4.95	8.65	-3.36	2	2	0	36	285.431	5	↓ MOL2 SDF SMILES Flexibase

69234052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S)-3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-ol (1S,2S,3S)-3-methyl-2-phenyl-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)	4.95	8.58	-3.27	2	2	0	36	285.431	5	↓ MOL2 SDF SMILES Flexibase

69234053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3R)-3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-ol (1S,2R,3R)-3-methyl-2-phenyl-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)	4.95	8.1	-4.45	2	2	0	36	285.431	5	↓ MOL2 SDF SMILES Flexibase

69234054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S)-3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-ol (1S,2R,3S)-3-methyl-2-phenyl-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)	4.95	8.14	-4.41	2	2	0	36	285.431	5	↓ MOL2 SDF SMILES Flexibase

69234062

Analogs

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Popular Name: (1R)-2-(4-methoxyphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(4-methoxyphenyl)-1-(3,4,…

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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)	3.12	5.41	-7.34	2	3	0	45	259.349	4	↓ MOL2 SDF SMILES Flexibase

69234063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-methoxyphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(4-methoxyphenyl)-1-(3,4,…

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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)	3.12	5.43	-7.37	2	3	0	45	259.349	4	↓ MOL2 SDF SMILES Flexibase

69234075

Analogs

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Popular Name: (1S)-2-(p-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(p-tolyl)-1-(3,4,5-trimet…

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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)	3.51	6.76	-5.74	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(p-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(p-tolyl)-1-(3,4,5-trimet…

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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)	3.51	6.78	-5.82	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234077

Analogs

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Popular Name: (1R)-2-(4-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(4-chlorophenyl)-1-(3,4,5…

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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)	3.74	6.64	-6.01	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69234078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(4-chlorophenyl)-1-(3,4,5…

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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)	3.74	6.65	-6.02	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69234079

Analogs

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Popular Name: (1R)-2-(2-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(2-fluorophenyl)-1-(3,4,5…

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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)	3.17	6.12	-7.09	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234080

Analogs

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Popular Name: (1S)-2-(2-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(2-fluorophenyl)-1-(3,4,5…

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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)	3.17	6.3	-6.06	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234083

Analogs

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Popular Name: (1R)-2-(4-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(4-fluorophenyl)-1-(3,4,5…

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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	6.18	-6.71	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234084

Analogs

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Popular Name: (1S)-2-(4-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(4-fluorophenyl)-1-(3,4,5…

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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	6.2	-6.73	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234087

Analogs

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Popular Name: (1S)-2-(m-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(m-tolyl)-1-(3,4,5-trimet…

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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)	3.48	6.75	-5.81	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234088

Analogs

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Popular Name: (1R)-2-(m-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(m-tolyl)-1-(3,4,5-trimet…

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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)	3.48	6.77	-5.8	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234117

Analogs

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Popular Name: (1R)-2-(3-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3-chlorophenyl)-1-(3,4,5…

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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)	3.71	6.62	-6.06	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69234118

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Popular Name: (1S)-2-(3-chlorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3-chlorophenyl)-1-(3,4,5…

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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)	3.71	6.64	-5.98	2	2	0	36	263.768	3	↓ MOL2 SDF SMILES Flexibase

69234123

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Popular Name: (1R)-2-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-ol (1R)-2-methyl-2-phenyl-1-(3,4,5-…

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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)	4.03	6.93	-4.25	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234124

Analogs

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Popular Name: (1S)-2-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-ol (1S)-2-methyl-2-phenyl-1-(3,4,5-…

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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)	4.03	6.91	-4.33	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234149

Analogs

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Popular Name: (1S)-2-(o-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(o-tolyl)-1-(3,4,5-trimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	6.54	-5.81	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(o-tolyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(o-tolyl)-1-(3,4,5-trimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	6.36	-5.86	2	2	0	36	243.35	3	↓ MOL2 SDF SMILES Flexibase

69234169

Analogs

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Popular Name: (1R)-2-(3-bromophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3-bromophenyl)-1-(3,4,5-…

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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)	3.84	6.73	-6.07	2	2	0	36	308.219	3	↓ MOL2 SDF SMILES Flexibase

69234170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3-bromophenyl)-1-(3,4,5-…

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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)	3.84	6.75	-5.94	2	2	0	36	308.219	3	↓ MOL2 SDF SMILES Flexibase

69234175

Analogs

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Popular Name: (1S)-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3,4-dimethylphenyl)-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)	3.88	7.3	-5.91	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234176

Analogs

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Popular Name: (1R)-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3,4-dimethylphenyl)-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)	3.88	7.32	-5.9	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234183

Analogs

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Popular Name: (1R)-2-(3-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3-fluorophenyl)-1-(3,4,5…

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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	6.18	-6.84	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-fluorophenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3-fluorophenyl)-1-(3,4,5…

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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	6.2	-6.68	2	2	0	36	247.313	3	↓ MOL2 SDF SMILES Flexibase

69234199

Analogs

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Popular Name: (1R)-2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-[4-(trifluoromethyl)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)	3.95	7.12	-6.76	2	2	0	36	297.32	4	↓ MOL2 SDF SMILES Flexibase

69234200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-[4-(trifluoromethyl)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)	3.95	7.14	-6.82	2	2	0	36	297.32	4	↓ MOL2 SDF SMILES Flexibase

69234201

Analogs

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Popular Name: (1S)-2-(2,5-dimethylphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(2,5-dimethylphenyl)-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)	3.88	7.69	-5.77	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2,5-dimethylphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(2,5-dimethylphenyl)-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)	3.88	7.16	-5.91	2	2	0	36	257.377	3	↓ MOL2 SDF SMILES Flexibase

69234211

Analogs

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Popular Name: (1R)-2-(3-methoxyphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1R)-2-(3-methoxyphenyl)-1-(3,4,…

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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)	3.09	5.41	-7.36	2	3	0	45	259.349	4	↓ MOL2 SDF SMILES Flexibase

69234212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-methoxyphenyl)-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanol (1S)-2-(3-methoxyphenyl)-1-(3,4,…

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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)	3.09	5.43	-7.22	2	3	0	45	259.349	4	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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