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)	1.34	3.39	-43.86	3	2	1	41	152.217	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	3.07	-3.71	2	2	0	39	151.209	2	↓ MOL2 SDF SMILES Flexibase

62772265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropanamine (1S,2S)-2-(2-furylmethyl)-2-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)	1.34	3.44	-46.15	3	2	1	41	152.217	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	3.13	-3.12	2	2	0	39	151.209	2	↓ MOL2 SDF SMILES Flexibase

62772266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropanamine (1R,2R)-2-(2-furylmethyl)-2-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)	1.34	3.36	-45.88	3	2	1	41	152.217	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	3.06	-3.28	2	2	0	39	151.209	2	↓ MOL2 SDF SMILES Flexibase

62772267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropanamine (1R,2S)-2-(2-furylmethyl)-2-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)	1.34	3.47	-43.59	3	2	1	41	152.217	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	3.15	-3.77	2	2	0	39	151.209	2	↓ MOL2 SDF SMILES Flexibase

62772295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methanamine [(1S,2R)-2-(2-furylmethyl)-2-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)	1.24	3.93	-45.82	3	2	1	41	166.244	3	↓ MOL2 SDF SMILES Flexibase

62772296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methanamine [(1S,2S)-2-(2-furylmethyl)-2-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)	1.24	3.98	-47.2	3	2	1	41	166.244	3	↓ MOL2 SDF SMILES Flexibase

62772297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methanamine [(1R,2R)-2-(2-furylmethyl)-2-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)	1.24	3.9	-47.13	3	2	1	41	166.244	3	↓ MOL2 SDF SMILES Flexibase

62772298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methanamine [(1R,2S)-2-(2-furylmethyl)-2-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)	1.24	4	-45.5	3	2	1	41	166.244	3	↓ MOL2 SDF SMILES Flexibase

62772299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]-N-methyl-methanamine 1-[(1S,2R)-2-(2-furylmethyl)-2-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)	2.22	5.81	-40.74	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

62772300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]-N-methyl-methanamine 1-[(1S,2S)-2-(2-furylmethyl)-2-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)	2.22	5.86	-41.92	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

62772301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]-N-methyl-methanamine 1-[(1R,2R)-2-(2-furylmethyl)-2-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)	2.22	5.78	-41.83	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

62772302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]-N-methyl-methanamine 1-[(1R,2S)-2-(2-furylmethyl)-2-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)	2.22	5.88	-40.51	2	2	1	30	180.271	4	↓ MOL2 SDF SMILES Flexibase

62772303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]ethanamine N-[[(1R,2S)-2-(2-furylmethyl)-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)	2.24	6.74	-39.49	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

62772304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]ethanamine N-[[(1S,2S)-2-(2-furylmethyl)-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)	2.24	6.72	-41.15	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

62772305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]ethanamine N-[[(1R,2R)-2-(2-furylmethyl)-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)	2.24	6.63	-41	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

62772306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]ethanamine N-[[(1S,2R)-2-(2-furylmethyl)-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)	2.24	6.66	-39.77	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

62772307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-1-amine N-[[(1R,2S)-2-(2-furylmethyl)-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)	2.75	7.49	-40.5	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

62772308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-1-amine N-[[(1S,2S)-2-(2-furylmethyl)-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)	2.75	7.46	-42.13	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

62772309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-1-amine N-[[(1R,2R)-2-(2-furylmethyl)-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)	2.75	7.38	-42.06	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

62772310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-1-amine N-[[(1S,2R)-2-(2-furylmethyl)-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)	2.75	7.41	-40.77	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

62772311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-2-amine N-[[(1R,2S)-2-(2-furylmethyl)-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)	2.89	7.25	-38.33	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

62772312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-2-amine N-[[(1S,2S)-2-(2-furylmethyl)-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)	2.89	7.23	-39.83	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

62772313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-2-amine N-[[(1R,2R)-2-(2-furylmethyl)-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)	2.89	7.15	-39.68	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

62772314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]propan-2-amine N-[[(1S,2R)-2-(2-furylmethyl)-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)	2.89	7.18	-38.66	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

62772319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]-2-methyl-propan-2-amine N-[[(1S,2R)-2-(2-furylmethyl)-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)	3.40	7.59	-37.22	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

62772320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]-2-methyl-propan-2-amine N-[[(1S,2S)-2-(2-furylmethyl)-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)	3.40	7.66	-38.33	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

62772321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2R)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]-2-methyl-propan-2-amine N-[[(1R,2R)-2-(2-furylmethyl)-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)	3.40	7.58	-38.27	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

62772322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R,2S)-2-(2-furylmethyl)-2-methyl-cyclopropyl]methyl]-2-methyl-propan-2-amine N-[[(1R,2S)-2-(2-furylmethyl)-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)	3.40	7.67	-37.07	2	2	1	30	222.352	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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