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)	2.11	8.52	-58.3	1	5	1	43	321.441	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	6.04	-13.03	0	5	0	42	320.433	8	↓ MOL2 SDF SMILES Flexibase

69508779

Analogs

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Popular Name: (2S)-N-(2-dimethylaminoethyl)-N-phenyl-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2-dimethylaminoethyl)-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)	2.11	8.45	-59.46	1	5	1	43	321.441	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	5.97	-13.87	0	5	0	42	320.433	8	↓ MOL2 SDF SMILES Flexibase

69508785

Analogs

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Popular Name: (2R)-N-(2-dimethylaminoethyl)-N-phenyl-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2-dimethylaminoethyl)-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)	2.11	8.83	-59.63	1	5	1	43	321.441	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.11	6.35	-12.97	0	5	0	42	320.433	8	↓ MOL2 SDF SMILES Flexibase

65592321

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-2-[[(2R)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanoyl]amino]benzamide N-[(1R)-1-methylpropyl]-2-[[(2R)…

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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)	2.19	6.95	-16.18	2	6	0	77	348.443	8	↓ MOL2 SDF SMILES Flexibase

65592323

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-2-[[(2R)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanoyl]amino]benzamide N-[(1S)-1-methylpropyl]-2-[[(2R)…

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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)	2.19	6.95	-16.13	2	6	0	77	348.443	8	↓ MOL2 SDF SMILES Flexibase

65592325

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-2-[[(2S)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanoyl]amino]benzamide N-[(1R)-1-methylpropyl]-2-[[(2S)…

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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)	2.19	7.03	-15.42	2	6	0	77	348.443	8	↓ MOL2 SDF SMILES Flexibase

65592327

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-2-[[(2S)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanoyl]amino]benzamide N-[(1S)-1-methylpropyl]-2-[[(2S)…

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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)	2.19	7.03	-15.36	2	6	0	77	348.443	8	↓ MOL2 SDF SMILES Flexibase

66012781

Analogs

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Popular Name: (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-[2-chloro-5-(trifluoromet…

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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)	3.34	7.22	-13.71	1	4	0	48	351.752	6	↓ MOL2 SDF SMILES Flexibase

66015140

Analogs

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Popular Name: (2R)-N-butyl-N-phenyl-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-butyl-N-phenyl-2-[[(2S)-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)	3.52	9	-14.67	0	4	0	39	305.418	8	↓ MOL2 SDF SMILES Flexibase

66019526

Analogs

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Popular Name: (2R)-N-[2-[(1S)-1-chloro-2,2,2-trifluoro-ethyl]sulfanylphenyl]-2-[[(2S)-tetrahydrofuran-2-yl]methoxy (2R)-N-[2-[(1S)-1-chloro-2,2,2-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)	3.73	8.6	-13.42	1	4	0	48	397.846	8	↓ MOL2 SDF SMILES Flexibase

66025383

Analogs

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Popular Name: (2R)-N-(4-ethoxy-2-methyl-phenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-ethoxy-2-methyl-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	6.71	-15.68	1	5	0	57	307.39	7	↓ MOL2 SDF SMILES Flexibase

49275572

Analogs

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Popular Name: (2S)-N-(4-bromophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-bromophenyl)-2-[[(2S)-…

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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	6.22	-13.68	1	4	0	48	328.206	5	↓ MOL2 SDF SMILES Flexibase

49275576

Analogs

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Popular Name: (2R)-N-(4-bromophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-bromophenyl)-2-[[(2S)-…

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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	6.23	-14.26	1	4	0	48	328.206	5	↓ MOL2 SDF SMILES Flexibase

49275579

Analogs

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Popular Name: (2S)-N-(4-bromophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-bromophenyl)-2-[[(2R)-…

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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	6.15	-14.48	1	4	0	48	328.206	5	↓ MOL2 SDF SMILES Flexibase

49275582

Analogs

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Popular Name: (2R)-N-(4-bromophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-bromophenyl)-2-[[(2R)-…

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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	6.16	-13.71	1	4	0	48	328.206	5	↓ MOL2 SDF SMILES Flexibase

49275591

Analogs

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Popular Name: (2R)-N-(m-tolyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(m-tolyl)-2-[[(2S)-tetrah…

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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	6.28	-14.92	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275592

Analogs

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Popular Name: (2S)-N-(m-tolyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(m-tolyl)-2-[[(2S)-tetrah…

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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	6.29	-14.16	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275595

Analogs

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Popular Name: (2R)-N-(m-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(m-tolyl)-2-[[(2R)-tetrah…

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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	6.21	-14.26	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275598

Analogs

37116178
37116179

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Popular Name: (2S)-N-(m-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(m-tolyl)-2-[[(2R)-tetrah…

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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	6.22	-15.13	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275609

Analogs

21814615
21814618
21814620

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Popular Name: (2R)-N-(o-tolyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(o-tolyl)-2-[[(2S)-tetrah…

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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	6.49	-15.2	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275612

Analogs

21814615
21814618
21814620

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Popular Name: (2S)-N-(o-tolyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(o-tolyl)-2-[[(2S)-tetrah…

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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	6.51	-14.34	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275615

Analogs

21814615
21814618
21814620

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Popular Name: (2R)-N-(o-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(o-tolyl)-2-[[(2R)-tetrah…

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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	6.42	-14.29	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275618

Analogs

21814615
21814618
21814620

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Popular Name: (2S)-N-(o-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(o-tolyl)-2-[[(2R)-tetrah…

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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	6.44	-15.16	1	4	0	48	263.337	5	↓ MOL2 SDF SMILES Flexibase

49275620

Analogs

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Popular Name: (2S)-N-(2-methoxyphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2-methoxyphenyl)-2-[[(2S…

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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)	1.85	5	-13.81	1	5	0	57	279.336	6	↓ MOL2 SDF SMILES Flexibase

49275623

Analogs

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Popular Name: (2R)-N-(2-methoxyphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2-methoxyphenyl)-2-[[(2S…

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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)	1.85	5.01	-14.58	1	5	0	57	279.336	6	↓ MOL2 SDF SMILES Flexibase

49275626

Analogs

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Popular Name: (2S)-N-(2-methoxyphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2-methoxyphenyl)-2-[[(2R…

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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)	1.85	4.93	-14.66	1	5	0	57	279.336	6	↓ MOL2 SDF SMILES Flexibase

49275629

Analogs

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Popular Name: (2R)-N-(2-methoxyphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2-methoxyphenyl)-2-[[(2R…

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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)	1.85	4.94	-13.71	1	5	0	57	279.336	6	↓ MOL2 SDF SMILES Flexibase

49275632

Analogs

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Popular Name: (2R)-N-(2,3-dimethylphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2,3-dimethylphenyl)-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)	2.64	6.98	-15.19	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275636

Analogs

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Popular Name: (2S)-N-(2,3-dimethylphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2,3-dimethylphenyl)-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)	2.64	7	-14.37	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275639

Analogs

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Popular Name: (2R)-N-(2,3-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2,3-dimethylphenyl)-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)	2.64	6.91	-14.44	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275642

Analogs

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Popular Name: (2S)-N-(2,3-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2,3-dimethylphenyl)-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)	2.64	6.93	-15.39	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275645

Analogs

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Popular Name: (2R)-N-(3,4-dimethylphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(3,4-dimethylphenyl)-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)	2.66	6.84	-15.19	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275648

Analogs

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Popular Name: (2S)-N-(3,4-dimethylphenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(3,4-dimethylphenyl)-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)	2.66	6.85	-14.33	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275650

Analogs

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Popular Name: (2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(3,4-dimethylphenyl)-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)	2.66	6.77	-14.51	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275653

Analogs

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Popular Name: (2S)-N-(3,4-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(3,4-dimethylphenyl)-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)	2.66	6.78	-15.41	1	4	0	48	277.364	5	↓ MOL2 SDF SMILES Flexibase

49275656

Analogs

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Popular Name: (2S)-N-(4-fluorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-fluorophenyl)-2-[[(2S)…

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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)	2.00	5.67	-14.31	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

49275659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-fluorophenyl)-2-[[(2S)…

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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)	2.00	5.68	-14.91	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

49275662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-fluorophenyl)-2-[[(2R)…

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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)	2.00	5.6	-15.14	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

49275665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-fluorophenyl)-2-[[(2R)…

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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)	2.00	5.61	-14.3	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

49275680

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chlorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2-chlorophenyl)-2-[[(2S)…

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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	6.23	-11.85	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275682

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chlorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2-chlorophenyl)-2-[[(2S)…

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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	6.24	-12.5	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275685

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chlorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(2-chlorophenyl)-2-[[(2R)…

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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	6.16	-12.62	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275688

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chlorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(2-chlorophenyl)-2-[[(2R)…

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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	6.17	-11.73	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275700

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-chlorophenyl)-2-[[(2S)…

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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)	2.52	6.12	-13.73	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275703

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-2-[[(2S)-tetrahydrofuran-2-yl]methoxy]propanamide (2R)-N-(4-chlorophenyl)-2-[[(2S)…

Find On: PubMed — Wikipedia — Google

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)	2.52	6.13	-14.36	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

49275706

Analogs

21814823
21814827
21814829

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methoxy]propanamide (2S)-N-(4-chlorophenyl)-2-[[(2R)…

Find On: PubMed — Wikipedia — Google

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)	2.52	6.05	-14.6	1	4	0	48	283.755	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 48409
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 48409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=48409&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "48409"        

    });
</script>

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