ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

284

Analogs

5922708
5925357
5925423

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Piperidinebutanenitrile, alpha-(1-methylpropyl)-alpha-phenyl-; 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile; BRN 1253289; LS-161218; Valeronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-; Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)- 1-Piperidinebutanenitrile, alpha…

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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)	4.60	4	-40.93	1	2	1	28	285.455	6	↓ MOL2 SDF SMILES Flexibase

31622811

Analogs

40955827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Phenyl-2-(2-piperidinoethyl)butyronitrile; BRN 0023171; Butyronitrile, 2-phenyl-2-(2-piperidinoethyl)-; LS-48271 2-Phenyl-2-(2-piperidinoethyl)bu…

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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)	3.85	10.56	-43.19	1	2	1	28	257.401	5	↓ MOL2 SDF SMILES Flexibase

50906579

Analogs

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Popular Name: (1S)-1-phenyl-3-(4-propyl-1-piperidyl)propan-1-amine (1S)-1-phenyl-3-(4-propyl-1-pipe…

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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)	2.12	9.27	-121.26	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.12	8.96	-33.64	3	2	1	30	261.433	6	↓ MOL2 SDF SMILES Flexibase

50906581

Analogs

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Popular Name: (1R)-1-phenyl-3-(4-propyl-1-piperidyl)propan-1-amine (1R)-1-phenyl-3-(4-propyl-1-pipe…

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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)	2.12	9.27	-121.21	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.12	8.92	-37.23	3	2	1	30	261.433	6	↓ MOL2 SDF SMILES Flexibase

50906630

Analogs

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Popular Name: (2R)-1-phenyl-3-(4-propyl-1-piperidyl)propan-2-amine (2R)-1-phenyl-3-(4-propyl-1-pipe…

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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)	3.40	9.51	-126.91	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	9.21	-37.33	3	2	1	30	261.433	6	↓ MOL2 SDF SMILES Flexibase

50906631

Analogs

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Popular Name: (2S)-1-phenyl-3-(4-propyl-1-piperidyl)propan-2-amine (2S)-1-phenyl-3-(4-propyl-1-pipe…

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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)	3.40	9.51	-126.93	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	9.1	-33.3	3	2	1	30	261.433	6	↓ MOL2 SDF SMILES Flexibase

71587665

Analogs

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Popular Name: 2-[1-(3-phenylpropyl)-4-piperidyl]acetic 2-[1-(3-phenylpropyl)-4-piperidy…

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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)	3.14	11.08	-58.17	1	3	0	45	261.365	6	↓ MOL2 SDF SMILES Flexibase

11800251

Analogs

37997581
37997582

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Popular Name: (2S)-2-benzyl-3-(1-piperidyl)propan-1-amine (2S)-2-benzyl-3-(1-piperidyl)pro…

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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)	2.23	-0.28	-118.21	4	2	2	32	234.387	5	↓ MOL2 SDF SMILES Flexibase

11800252

Analogs

37997581
37997582

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(1-piperidyl)propan-1-amine (2R)-2-benzyl-3-(1-piperidyl)pro…

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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)	2.23	-0.47	-100.29	4	2	2	32	234.387	5	↓ MOL2 SDF SMILES Flexibase

11800254

Analogs

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Popular Name: (2S)-2-(o-tolylmethyl)-3-(1-piperidyl)propan-1-amine (2S)-2-(o-tolylmethyl)-3-(1-pipe…

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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)	2.63	-0.25	-105.28	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800255

Analogs

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Popular Name: (2R)-2-(o-tolylmethyl)-3-(1-piperidyl)propan-1-amine (2R)-2-(o-tolylmethyl)-3-(1-pipe…

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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)	2.63	-0.28	-104.94	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(m-tolylmethyl)-3-(1-piperidyl)propan-1-amine (2S)-2-(m-tolylmethyl)-3-(1-pipe…

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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)	2.65	0.05	-118.24	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(m-tolylmethyl)-3-(1-piperidyl)propan-1-amine (2R)-2-(m-tolylmethyl)-3-(1-pipe…

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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)	2.65	-0.64	-117.18	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800261

Analogs

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Popular Name: (2S)-2-(1-piperidylmethyl)-3-(p-tolyl)propan-1-amine (2S)-2-(1-piperidylmethyl)-3-(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)	2.68	0.03	-118.62	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800262

Analogs

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Popular Name: (2R)-2-(1-piperidylmethyl)-3-(p-tolyl)propan-1-amine (2R)-2-(1-piperidylmethyl)-3-(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)	2.68	-0.15	-100.94	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

11800264

Analogs

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Popular Name: (2S)-2-[(2-fluorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2-fluorophenyl)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)	2.35	0.23	-112.75	4	2	2	32	252.377	5	↓ MOL2 SDF SMILES Flexibase

11800265

Analogs

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Popular Name: (2R)-2-[(2-fluorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2-fluorophenyl)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)	2.35	0.35	-117.06	4	2	2	32	252.377	5	↓ MOL2 SDF SMILES Flexibase

11800267

Analogs

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Popular Name: (2S)-2-[(4-fluorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-fluorophenyl)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)	2.39	0.45	-125.12	4	2	2	32	252.377	5	↓ MOL2 SDF SMILES Flexibase

11800269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-fluorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-fluorophenyl)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)	2.39	-0.23	-123.79	4	2	2	32	252.377	5	↓ MOL2 SDF SMILES Flexibase

11800272

Analogs

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Popular Name: (2S)-2-[(4-ethylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-ethylphenyl)methyl]-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)	3.14	0.21	-118.02	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase

11800274

Analogs

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Popular Name: (2R)-2-[(4-ethylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-ethylphenyl)methyl]-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)	3.14	-0.49	-116.9	4	2	2	32	262.441	6	↓ MOL2 SDF SMILES Flexibase

11800276

Analogs

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Popular Name: (2S)-2-[(2-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2-methoxyphenyl)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)	2.24	-0.43	-101.73	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800278

Analogs

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Popular Name: (2R)-2-[(2-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2-methoxyphenyl)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)	2.24	-0.13	-114.09	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800279

Analogs

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Popular Name: (2S)-2-[(3-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(3-methoxyphenyl)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)	2.26	-0.25	-119.75	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800281

Analogs

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Popular Name: (2R)-2-[(3-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(3-methoxyphenyl)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)	2.26	-0.45	-102.04	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800283

Analogs

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Popular Name: (2S)-2-[(4-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-methoxyphenyl)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)	2.29	-0.25	-121.61	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800286

Analogs

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Popular Name: (2R)-2-[(4-methoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-methoxyphenyl)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)	2.29	-0.45	-103.89	4	3	2	41	264.413	6	↓ MOL2 SDF SMILES Flexibase

11800288

Analogs

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Popular Name: (2S)-2-[(2-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2-chlorophenyl)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)	2.86	-0.38	-115.62	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800289

Analogs

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Popular Name: (2R)-2-[(2-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2-chlorophenyl)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)	2.86	-0.51	-116.42	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800291

Analogs

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Popular Name: (2S)-2-[(3-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(3-chlorophenyl)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)	2.88	-0.42	-122.06	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800293

Analogs

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Popular Name: (2R)-2-[(3-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(3-chlorophenyl)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)	2.88	-0.62	-105.88	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800294

Analogs

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Popular Name: (2S)-2-[(4-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-chlorophenyl)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)	2.91	-0.42	-123.16	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800296

Analogs

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Popular Name: (2R)-2-[(4-chlorophenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-chlorophenyl)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)	2.91	-0.62	-107.16	4	2	2	32	268.832	5	↓ MOL2 SDF SMILES Flexibase

11800298

Analogs

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Popular Name: (2S)-2-[(4-isopropylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-isopropylphenyl)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)	3.74	0.52	-118.46	4	2	2	32	276.468	6	↓ MOL2 SDF SMILES Flexibase

11800300

Analogs

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Popular Name: (2R)-2-[(4-isopropylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-isopropylphenyl)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)	3.74	0.33	-101.94	4	2	2	32	276.468	6	↓ MOL2 SDF SMILES Flexibase

11800302

Analogs

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Popular Name: (2S)-2-[(2-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2-ethoxyphenyl)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)	2.61	-0.14	-115.47	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2-ethoxyphenyl)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)	2.61	0.01	-98.39	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(3-ethoxyphenyl)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)	2.64	-0.24	-118.34	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(3-ethoxyphenyl)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)	2.64	-0.44	-102.05	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-ethoxyphenyl)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)	2.66	-0.24	-121.61	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-ethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-ethoxyphenyl)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)	2.66	-0.94	-120.25	4	3	2	41	278.44	7	↓ MOL2 SDF SMILES Flexibase

11800309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-tert-butylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(4-tert-butylphenyl)meth…

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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)	3.94	0.88	-118.18	4	2	2	32	290.495	6	↓ MOL2 SDF SMILES Flexibase

11800312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-tert-butylphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(4-tert-butylphenyl)meth…

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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)	3.94	0.68	-102.49	4	2	2	32	290.495	6	↓ MOL2 SDF SMILES Flexibase

11800314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(3,4-dimethoxyphenyl)met…

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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)	1.88	0.07	-126.51	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(3,4-dimethoxyphenyl)met…

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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)	1.88	-0.62	-125.7	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,5-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2,5-dimethoxyphenyl)met…

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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)	2.27	-0.43	-101.18	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,5-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2,5-dimethoxyphenyl)met…

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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)	2.27	0.02	-96.82	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2,4-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2S)-2-[(2,4-dimethoxyphenyl)met…

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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)	2.27	-0.14	-118.85	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2,4-dimethoxyphenyl)methyl]-3-(1-piperidyl)propan-1-amine (2R)-2-[(2,4-dimethoxyphenyl)met…

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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)	2.27	-0.12	-117.03	4	4	2	51	294.439	7	↓ MOL2 SDF SMILES Flexibase

11800857

Analogs

37997581
37997582

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-2-methyl-3-(1-piperidyl)propan-1-amine (2R)-2-benzyl-2-methyl-3-(1-pipe…

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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)	2.47	-0.33	-118.88	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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