ZINC 12

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ZINC Item

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36097647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[benzyl-[(5-methyl-2-furyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[benzyl-[(5-methyl-2-fury…

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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)	3.66	9.56	-42.12	2	4	1	47	352.454	9	↓ MOL2 SDF SMILES Flexibase

36097649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[benzyl-[(5-methyl-2-furyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[benzyl-[(5-methyl-2-fury…

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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)	3.66	10.1	-41.06	2	4	1	47	352.454	9	↓ MOL2 SDF SMILES Flexibase

36098220

Analogs

40314485
40314487

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[2-furylmethyl-[(3-methox…

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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)	3.52	7.87	-45.15	2	6	1	66	398.479	11	↓ MOL2 SDF SMILES Flexibase

36098221

Analogs

40314485
40314487

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[2-furylmethyl-[(3-methox…

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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)	3.52	8.18	-45.65	2	6	1	66	398.479	11	↓ MOL2 SDF SMILES Flexibase

36098223

Analogs

40313773
40313775

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[2-furylmethyl-[(3-methox…

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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	9.33	-43.33	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36098225

Analogs

40313773
40313775

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[2-furylmethyl-[(3-methox…

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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	9.59	-43.28	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36098242

Analogs

40313978
40313980

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-chlorophenoxy)-3-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.14	9.4	-43.35	2	5	1	56	402.898	10	↓ MOL2 SDF SMILES Flexibase

36098244

Analogs

40313978
40313980

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-chlorophenoxy)-3-[2-furylmethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.14	9.1	-43.51	2	5	1	56	402.898	10	↓ MOL2 SDF SMILES Flexibase

36098630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[2-furylmethyl(m-tolylmet…

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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)	3.86	10.17	-41.11	2	4	1	47	352.454	9	↓ MOL2 SDF SMILES Flexibase

36098632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[2-furylmethyl(m-tolylmet…

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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)	3.86	9.94	-42	2	4	1	47	352.454	9	↓ MOL2 SDF SMILES Flexibase

36098662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[2-furylmethyl(m-tolylmet…

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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)	3.92	9.53	-43.24	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36098664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[2-furylmethyl(m-tolylmet…

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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)	3.92	9.24	-42.9	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36098666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[2-furylmethyl(m-tolylmet…

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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)	4.26	10.92	-41.12	2	4	1	47	366.481	9	↓ MOL2 SDF SMILES Flexibase

36098668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl(m-tolylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[2-furylmethyl(m-tolylmet…

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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)	4.26	10.7	-41.12	2	4	1	47	366.481	9	↓ MOL2 SDF SMILES Flexibase

36098686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-chlorophenoxy)-3-[2-furylmethyl(m-tolylmethyl)amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.54	10.76	-43.5	2	4	1	47	386.899	9	↓ MOL2 SDF SMILES Flexibase

36098688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-chlorophenoxy)-3-[2-furylmethyl(m-tolylmethyl)amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.54	10.47	-42.98	2	4	1	47	386.899	9	↓ MOL2 SDF SMILES Flexibase

36102098

Analogs

40312634
40312638
40313053
40313056
40314453

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[2-furylmethyl-[(4-methox…

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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)	3.49	8.87	-44.26	2	5	1	56	368.453	10	↓ MOL2 SDF SMILES Flexibase

36102100

Analogs

40312634
40312638
40313053
40313056
40314453

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[2-furylmethyl-[(4-methox…

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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)	3.49	8.59	-44.52	2	5	1	56	368.453	10	↓ MOL2 SDF SMILES Flexibase

36102125

Analogs

40313769
40313771

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[2-furylmethyl-[(4-methox…

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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)	3.89	9.33	-44.03	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36102127

Analogs

40313769
40313771

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(4-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[2-furylmethyl-[(4-methox…

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Activity (Go SEA)

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)	3.89	9.6	-44.05	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36102465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[(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)	3.60	9.35	-46.89	2	4	1	47	356.417	9	↓ MOL2 SDF SMILES Flexibase

36102467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[(4-fluorophenyl)methyl-(…

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Activity (Go SEA)

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)	3.60	9.67	-47.22	2	4	1	47	356.417	9	↓ MOL2 SDF SMILES Flexibase

36102483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(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)	4.00	10.09	-47.39	2	4	1	47	370.444	9	↓ MOL2 SDF SMILES Flexibase

36102485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(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)	4.00	10.37	-46.84	2	4	1	47	370.444	9	↓ MOL2 SDF SMILES Flexibase

36102680

Analogs

40314457
40314459

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2S)-1-[2-furylmethyl-[(2-methox…

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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)	3.44	9.04	-39.58	2	5	1	56	368.453	10	↓ MOL2 SDF SMILES Flexibase

36102682

Analogs

40314457
40314459

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]-3-phenoxy-propan-2-ol (2R)-1-[2-furylmethyl-[(2-methox…

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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)	3.44	8.71	-40.06	2	5	1	56	368.453	10	↓ MOL2 SDF SMILES Flexibase

36102710

Analogs

40313757
40313761
40313763

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[2-furylmethyl-[(2-methox…

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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	9.46	-39.86	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36102712

Analogs

40313757
40313761
40313763

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[2-furylmethyl-[(2-methox…

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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	9.77	-39.71	2	5	1	56	382.48	10	↓ MOL2 SDF SMILES Flexibase

36102737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-chlorophenoxy)-3-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.12	9.56	-41.37	2	5	1	56	402.898	10	↓ MOL2 SDF SMILES Flexibase

36102741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-chlorophenoxy)-3-[2-furylmethyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[2-fu…

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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)	4.12	9.23	-41.95	2	5	1	56	402.898	10	↓ MOL2 SDF SMILES Flexibase

36102955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[(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)	3.55	9.32	-43.09	2	4	1	47	356.417	9	↓ MOL2 SDF SMILES Flexibase

36102956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[(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)	3.55	9.65	-42.62	2	4	1	47	356.417	9	↓ MOL2 SDF SMILES Flexibase

36102978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[(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)	3.61	8.62	-44.77	2	5	1	56	386.443	10	↓ MOL2 SDF SMILES Flexibase

36102980

Analogs

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Popular Name: (2S)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[(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)	3.61	8.94	-44.32	2	5	1	56	386.443	10	↓ MOL2 SDF SMILES Flexibase

36102982

Analogs

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Popular Name: (2R)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(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)	3.95	10.07	-43.02	2	4	1	47	370.444	9	↓ MOL2 SDF SMILES Flexibase

36102984

Analogs

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Popular Name: (2S)-1-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(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)	3.95	10.4	-42.49	2	4	1	47	370.444	9	↓ MOL2 SDF SMILES Flexibase

36103001

Analogs

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Popular Name: (2S)-1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[(2-f…

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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)	4.23	10.19	-44.24	2	4	1	47	390.862	9	↓ MOL2 SDF SMILES Flexibase

36103003

Analogs

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Popular Name: (2R)-1-(4-chlorophenoxy)-3-[(2-fluorophenyl)methyl-(2-furylmethyl)amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[(2-f…

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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)	4.23	9.89	-44.83	2	4	1	47	390.862	9	↓ MOL2 SDF SMILES Flexibase

36103590

Analogs

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Popular Name: (2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[(2,3-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)	3.25	8.98	-41.65	2	6	1	66	398.479	11	↓ MOL2 SDF SMILES Flexibase

36103592

Analogs

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Popular Name: (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[(2,3-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)	3.25	8.7	-44.73	2	6	1	66	398.479	11	↓ MOL2 SDF SMILES Flexibase

36103608

Analogs

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Popular Name: (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(2,3-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)	3.65	9.39	-43.16	2	6	1	66	412.506	11	↓ MOL2 SDF SMILES Flexibase

36103610

Analogs

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Popular Name: (2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(2,3-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)	3.65	9.61	-42.46	2	6	1	66	412.506	11	↓ MOL2 SDF SMILES Flexibase

36103618

Analogs

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Popular Name: (2S)-1-(4-chlorophenoxy)-3-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[(2,3…

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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)	3.93	9.51	-43.29	2	6	1	66	432.924	11	↓ MOL2 SDF SMILES Flexibase

36103620

Analogs

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Popular Name: (2R)-1-(4-chlorophenoxy)-3-[(2,3-dimethoxyphenyl)methyl-(2-furylmethyl)amino]propan-2-ol (2R)-1-(4-chlorophenoxy)-3-[(2,3…

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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)	3.93	9.22	-46.79	2	6	1	66	432.924	11	↓ MOL2 SDF SMILES Flexibase

36104027

Analogs

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Popular Name: (2R)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2R)-1-[(2,4-difluorophenyl)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)	3.69	9.41	-48.15	2	4	1	47	374.407	9	↓ MOL2 SDF SMILES Flexibase

36104029

Analogs

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Popular Name: (2S)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-phenoxy-propan-2-ol (2S)-1-[(2,4-difluorophenyl)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)	3.69	9.72	-47.67	2	4	1	47	374.407	9	↓ MOL2 SDF SMILES Flexibase

36104048

Analogs

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Popular Name: (2R)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2R)-1-[(2,4-difluorophenyl)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)	3.75	8.69	-49.86	2	5	1	56	404.433	10	↓ MOL2 SDF SMILES Flexibase

36104050

Analogs

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Popular Name: (2S)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol (2S)-1-[(2,4-difluorophenyl)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)	3.75	9.01	-49.29	2	5	1	56	404.433	10	↓ MOL2 SDF SMILES Flexibase

36104052

Analogs

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Popular Name: (2R)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2R)-1-[(2,4-difluorophenyl)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)	4.09	10.15	-48.04	2	4	1	47	388.434	9	↓ MOL2 SDF SMILES Flexibase

36104053

Analogs

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Popular Name: (2S)-1-[(2,4-difluorophenyl)methyl-(2-furylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (2S)-1-[(2,4-difluorophenyl)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)	4.09	10.47	-47.49	2	4	1	47	388.434	9	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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