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)	0.68	2.72	-46.64	2	7	1	83	252.298	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	1.47	-9.31	1	7	0	78	251.29	7	↓ MOL2 SDF SMILES Flexibase

53538748

Analogs

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Popular Name: (2R)-N-[2-[5-(2-furyl)tetrazol-2-yl]ethyl]-1-methoxy-propan-2-amine (2R)-N-[2-[5-(2-furyl)tetrazol-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)	0.68	2.72	-46.52	2	7	1	83	252.298	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	1.48	-8.4	1	7	0	78	251.29	7	↓ MOL2 SDF SMILES Flexibase

53538774

Analogs

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Popular Name: (2S)-2-[5-(2-furyl)tetrazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (2S)-2-[5-(2-furyl)tetrazol-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)	0.36	2.8	-47.16	2	7	1	83	252.298	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.36	1.54	-8.96	1	7	0	78	251.29	7	↓ MOL2 SDF SMILES Flexibase

53538778

Analogs

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Popular Name: (2R)-2-[5-(2-furyl)tetrazol-2-yl]-N-(2-methoxyethyl)propan-1-amine (2R)-2-[5-(2-furyl)tetrazol-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)	0.36	2.8	-47.37	2	7	1	83	252.298	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.36	1.39	-9.78	1	7	0	78	251.29	7	↓ MOL2 SDF SMILES Flexibase

53538781

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-propan-2-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	1.91	4.62	-44.84	2	6	1	73	250.326	5	↓ MOL2 SDF SMILES Flexibase

53538785

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-propan-2-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	1.91	4.63	-44.85	2	6	1	73	250.326	5	↓ MOL2 SDF SMILES Flexibase

53538788

Analogs

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Popular Name: (2S)-N-allyl-2-[5-(2-furyl)tetrazol-2-yl]propan-1-amine (2S)-N-allyl-2-[5-(2-furyl)tetra…

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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)	1.02	4.23	-48.24	2	6	1	73	234.283	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.02	3	-7.71	1	6	0	69	233.275	6	↓ MOL2 SDF SMILES Flexibase

53538792

Analogs

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Popular Name: (2R)-N-allyl-2-[5-(2-furyl)tetrazol-2-yl]propan-1-amine (2R)-N-allyl-2-[5-(2-furyl)tetra…

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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)	1.02	4.23	-48.29	2	6	1	73	234.283	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.02	2.85	-8.25	1	6	0	69	233.275	6	↓ MOL2 SDF SMILES Flexibase

53538797

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-propan-1-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	1.50	5.11	-48.58	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538800

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-propan-1-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	1.50	5.12	-48.48	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538803

Analogs

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Popular Name: (2R)-2-[5-(2-furyl)tetrazol-2-yl]-N-propyl-propan-1-amine (2R)-2-[5-(2-furyl)tetrazol-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)	1.25	4.43	-48.7	2	6	1	73	236.299	6	↓ MOL2 SDF SMILES Flexibase

53538807

Analogs

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Popular Name: (2S)-2-[5-(2-furyl)tetrazol-2-yl]-N-propyl-propan-1-amine (2S)-2-[5-(2-furyl)tetrazol-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)	1.25	4.42	-48.78	2	6	1	73	236.299	6	↓ MOL2 SDF SMILES Flexibase

53538819

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-butan-2-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	2.41	5.11	-45.58	2	6	1	73	264.353	6	↓ MOL2 SDF SMILES Flexibase

53538824

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-2-methyl-butan-2-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	2.41	5.11	-45.58	2	6	1	73	264.353	6	↓ MOL2 SDF SMILES Flexibase

53538828

Analogs

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Popular Name: (2R)-N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-2-amine (2R)-N-[(2R)-2-[5-(2-furyl)tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5	-45.76	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538832

Analogs

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Popular Name: (2S)-N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-2-amine (2S)-N-[(2R)-2-[5-(2-furyl)tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5.01	-45.82	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538836

Analogs

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Popular Name: (2R)-N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-2-amine (2R)-N-[(2S)-2-[5-(2-furyl)tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5	-45.76	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538841

Analogs

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Popular Name: (2S)-N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-2-amine (2S)-N-[(2S)-2-[5-(2-furyl)tetra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5.01	-45.78	2	6	1	73	250.326	6	↓ MOL2 SDF SMILES Flexibase

53538844

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-3-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	2.47	5.61	-46.56	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538848

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-3-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	2.47	5.62	-46.32	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538853

Analogs

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Popular Name: 3-ethoxy-N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]propan-1-amine 3-ethoxy-N-[(2R)-2-[5-(2-furyl)t…

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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)	1.00	4.46	-51.86	2	7	1	83	280.352	9	↓ MOL2 SDF SMILES Flexibase

53538857

Analogs

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Popular Name: 3-ethoxy-N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]propan-1-amine 3-ethoxy-N-[(2S)-2-[5-(2-furyl)t…

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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)	1.00	4.46	-51.8	2	7	1	83	280.352	9	↓ MOL2 SDF SMILES Flexibase

53538860

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-1-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	2.32	5.98	-50.12	2	6	1	73	264.353	8	↓ MOL2 SDF SMILES Flexibase

53538865

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-1-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	2.32	5.98	-50.09	2	6	1	73	264.353	8	↓ MOL2 SDF SMILES Flexibase

53538869

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-1-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	1.81	5.2	-49.6	2	6	1	73	250.326	7	↓ MOL2 SDF SMILES Flexibase

53538873

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]butan-1-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	1.81	5.2	-49.59	2	6	1	73	250.326	7	↓ MOL2 SDF SMILES Flexibase

53538877

Analogs

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Popular Name: (2S)-2-[5-(2-furyl)tetrazol-2-yl]-N-(3-methoxypropyl)propan-1-amine (2S)-2-[5-(2-furyl)tetrazol-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)	0.63	3.49	-51.84	2	7	1	83	266.325	8	↓ MOL2 SDF SMILES Flexibase

53538880

Analogs

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Popular Name: (2R)-2-[5-(2-furyl)tetrazol-2-yl]-N-(3-methoxypropyl)propan-1-amine (2R)-2-[5-(2-furyl)tetrazol-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)	0.63	3.49	-51.87	2	7	1	83	266.325	8	↓ MOL2 SDF SMILES Flexibase

53538885

Analogs

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Popular Name: N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-3-methyl-butan-1-amine N-[(2R)-2-[5-(2-furyl)tetrazol-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)	2.03	5.7	-50.24	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538888

Analogs

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Popular Name: N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]-3-methyl-butan-1-amine N-[(2S)-2-[5-(2-furyl)tetrazol-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)	2.03	5.7	-50.29	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538892

Analogs

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Popular Name: (2R)-N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-2-amine (2R)-N-[(2R)-2-[5-(2-furyl)tetra…

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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)	2.49	5.78	-46.88	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538896

Analogs

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Popular Name: (2S)-N-[(2R)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-2-amine (2S)-N-[(2R)-2-[5-(2-furyl)tetra…

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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)	2.49	5.78	-46.86	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538900

Analogs

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Popular Name: (2R)-N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-2-amine (2R)-N-[(2S)-2-[5-(2-furyl)tetra…

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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)	2.49	5.79	-46.88	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538903

Analogs

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Popular Name: (2S)-N-[(2S)-2-[5-(2-furyl)tetrazol-2-yl]propyl]pentan-2-amine (2S)-N-[(2S)-2-[5-(2-furyl)tetra…

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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)	2.49	5.78	-46.91	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538908

Analogs

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Popular Name: (2S)-2-[5-(2-furyl)tetrazol-2-yl]-N-prop-2-ynyl-propan-1-amine (2S)-2-[5-(2-furyl)tetrazol-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)	0.53	4.18	-49.59	2	6	1	73	232.267	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.53	2.95	-8.72	1	6	0	69	231.259	5	↓ MOL2 SDF SMILES Flexibase

53538912

Analogs

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Popular Name: (2R)-2-[5-(2-furyl)tetrazol-2-yl]-N-prop-2-ynyl-propan-1-amine (2R)-2-[5-(2-furyl)tetrazol-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)	0.53	4.18	-49.62	2	6	1	73	232.267	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.53	2.8	-9.11	1	6	0	69	231.259	5	↓ MOL2 SDF SMILES Flexibase

53538916

Analogs

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Popular Name: (2S)-2-[5-(2-furyl)tetrazol-2-yl]propan-1-amine (2S)-2-[5-(2-furyl)tetrazol-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)	-0.26	0.94	-54.84	3	6	1	84	194.218	3	↓ MOL2 SDF SMILES Flexibase

53538918

Analogs

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Popular Name: (2R)-2-[5-(2-furyl)tetrazol-2-yl]propan-1-amine (2R)-2-[5-(2-furyl)tetrazol-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)	-0.26	0.94	-54.82	3	6	1	84	194.218	3	↓ MOL2 SDF SMILES Flexibase

53538924

Analogs

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Popular Name: 4-[5-(2-furyl)tetrazol-2-yl]-N-propyl-butan-1-amine 4-[5-(2-furyl)tetrazol-2-yl]-N-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)	1.43	5.28	-48.02	2	6	1	73	250.326	8	↓ MOL2 SDF SMILES Flexibase

53538926

Analogs

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Popular Name: 4-[5-(2-furyl)tetrazol-2-yl]-N-isopropyl-butan-1-amine 4-[5-(2-furyl)tetrazol-2-yl]-N-i…

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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)	1.57	5.06	-46.06	2	6	1	73	250.326	7	↓ MOL2 SDF SMILES Flexibase

53538936

Analogs

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Popular Name: N-tert-butyl-4-[5-(2-furyl)tetrazol-2-yl]butan-1-amine N-tert-butyl-4-[5-(2-furyl)tetra…

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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)	2.09	5.48	-45.04	2	6	1	73	264.353	7	↓ MOL2 SDF SMILES Flexibase

53538938

Analogs

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Popular Name: 4-[5-(2-furyl)tetrazol-2-yl]-N-isobutyl-butan-1-amine 4-[5-(2-furyl)tetrazol-2-yl]-N-i…

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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)	1.67	5.96	-48.11	2	6	1	73	264.353	8	↓ MOL2 SDF SMILES Flexibase

53538944

Analogs

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Popular Name: 4-[5-(2-furyl)tetrazol-2-yl]-N-(2-methoxyethyl)butan-1-amine 4-[5-(2-furyl)tetrazol-2-yl]-N-(…

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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)	0.54	3.67	-46.94	2	7	1	83	266.325	9	↓ MOL2 SDF SMILES Flexibase

53538947

Analogs

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Popular Name: 4-[5-(2-furyl)tetrazol-2-yl]butan-1-amine 4-[5-(2-furyl)tetrazol-2-yl]buta…

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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)	-0.08	1.8	-52.14	3	6	1	84	208.245	5	↓ MOL2 SDF SMILES Flexibase

53538954

Analogs

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Popular Name: (2R)-N-[2-[5-(2-furyl)tetrazol-2-yl]ethyl]pentan-2-amine (2R)-N-[2-[5-(2-furyl)tetrazol-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)	2.13	5.07	-47.81	2	6	1	73	250.326	7	↓ MOL2 SDF SMILES Flexibase

53538961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-[5-(2-furyl)tetrazol-2-yl]ethyl]pentan-2-amine (2S)-N-[2-[5-(2-furyl)tetrazol-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)	2.13	5.07	-47.83	2	6	1	73	250.326	7	↓ MOL2 SDF SMILES Flexibase

53538963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[5-(2-furyl)tetrazol-2-yl]ethyl]-3-methyl-butan-1-amine N-[2-[5-(2-furyl)tetrazol-2-yl]e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	5.01	-50.85	2	6	1	73	250.326	7	↓ 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

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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