ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

101

Analogs

1846353
1846354
1846356

Draw Identity 99% 90% 80% 70%

Popular Name: olol olol

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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)	2.31	-3.07	-42.08	3	5	1	65	324.441	9	↓ MOL2 SDF SMILES Flexibase

152

Analogs

3649799

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Popular Name: Cinnofuradione (INN) Cinnofuradione (INN)

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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)	4.03	0.29	-10.55	0	5	0	53	334.375	2	↓ MOL2 SDF SMILES Flexibase

288

Analogs

3604409

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Popular Name: Fenamifuril (INN) Fenamifuril (INN)

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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)	1.55	-1.15	-20.1	2	6	0	87	279.292	7	↓ MOL2 SDF SMILES Flexibase

557

Analogs

2002432
2002433

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Popular Name: USAN) USAN)

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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)	1.35	4.65	-9.41	0	3	0	30	217.268	1	↓ MOL2 SDF SMILES Flexibase

40344861

Analogs

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Popular Name: (4S)-4-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydropyr (4S)-4-(2,4-dichlorophenyl)-3-(4…

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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)	4.72	9.16	-10.36	1	6	0	67	458.345	5	↓ MOL2 SDF SMILES Flexibase

744

Analogs

5735877
5752142
5752192
13572721
13572724

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Popular Name: Ambros-2-en-12-oic acid, 6-beta,13-epoxy-8-alpha,13-dihydroxy-11-methyl-4-oxo-, gamma-lactone; LS-16554; Tenulin Ambros-2-en-12-oic acid, 6-beta,…

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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)	0.64	-0.75	-14.14	1	5	0	72	306.358	0	↓ MOL2 SDF SMILES Flexibase

765

Analogs

2041299

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Popular Name: Thurfyl Nicotinate (BAN) Thurfyl Nicotinate (BAN)

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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)	0.91	0.04	-7.73	0	4	0	48	207.229	4	↓ MOL2 SDF SMILES Flexibase

746864

Analogs

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Popular Name: 5-(pivaloylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(pivaloylamino)-2-pyrrolidino-…

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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)	2.82	-2.94	-14.59	2	6	0	70	373.497	6	↓ MOL2 SDF SMILES Flexibase

746865

Analogs

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Popular Name: 5-(pivaloylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(pivaloylamino)-2-pyrrolidino-…

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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)	2.82	-2.99	-13.99	2	6	0	70	373.497	6	↓ MOL2 SDF SMILES Flexibase

746866

Analogs

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Popular Name: 5-benzamido-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-benzamido-2-pyrrolidino-N-[[(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)	2.83	-3.51	-15.72	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

746867

Analogs

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Popular Name: 5-benzamido-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-benzamido-2-pyrrolidino-N-[[(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)	2.83	-3.56	-15.24	2	6	0	70	393.487	6	↓ MOL2 SDF SMILES Flexibase

746870

Analogs

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Popular Name: 5-[(2-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-chlorobenzoyl)amino]-2-pyr…

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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)	3.46	-3.64	-16.89	2	6	0	70	427.932	6	↓ MOL2 SDF SMILES Flexibase

746873

Analogs

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Popular Name: 5-[(2,4-dichlorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2,4-dichlorobenzoyl)amino]-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)	4.11	8.54	-18.02	2	6	0	71	462.377	6	↓ MOL2 SDF SMILES Flexibase

746874

Analogs

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Popular Name: 5-[(2-phenylacetyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-phenylacetyl)amino]-2-pyrr…

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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)	2.92	-3.51	-15.54	2	6	0	70	407.514	7	↓ MOL2 SDF SMILES Flexibase

746875

Analogs

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Popular Name: 5-[(2-phenylacetyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-phenylacetyl)amino]-2-pyrr…

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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)	2.92	-3.57	-16.27	2	6	0	70	407.514	7	↓ MOL2 SDF SMILES Flexibase

746876

Analogs

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Popular Name: 5-[(4-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-chlorobenzoyl)amino]-2-pyr…

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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)	3.51	-3.66	-15.08	2	6	0	70	427.932	6	↓ MOL2 SDF SMILES Flexibase

746877

Analogs

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Popular Name: 5-[(4-chlorobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-chlorobenzoyl)amino]-2-pyr…

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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)	3.51	7.99	-17.1	2	6	0	71	427.932	6	↓ MOL2 SDF SMILES Flexibase

746878

Analogs

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Popular Name: 5-[(4-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-nitrobenzoyl)amino]-2-pyrr…

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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)	2.79	-2.99	-18.42	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746879

Analogs

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Popular Name: 5-[(4-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(4-nitrobenzoyl)amino]-2-pyrr…

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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)	2.79	9.47	-15.68	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746880

Analogs

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Popular Name: 5-[(3-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-nitrobenzoyl)amino]-2-pyrr…

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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)	2.76	9.48	-19.94	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746881

Analogs

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Popular Name: 5-[(3-nitrobenzoyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(3-nitrobenzoyl)amino]-2-pyrr…

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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)	2.76	9.45	-20.57	2	9	0	116	438.484	7	↓ MOL2 SDF SMILES Flexibase

746882

Analogs

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Popular Name: 5-(p-toluoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(p-toluoylamino)-2-pyrrolidino…

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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)	3.28	-3.19	-15.52	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746883

Analogs

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Popular Name: 5-(p-toluoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(p-toluoylamino)-2-pyrrolidino…

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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)	3.28	-3.28	-13.96	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746884

Analogs

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Popular Name: 5-(cyclohexanecarbonylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(cyclohexanecarbonylamino)-2-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)	3.40	-3.92	-14.56	2	6	0	70	399.535	6	↓ MOL2 SDF SMILES Flexibase

746885

Analogs

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Popular Name: 5-(cyclohexanecarbonylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(cyclohexanecarbonylamino)-2-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)	3.40	-4.01	-13.77	2	6	0	70	399.535	6	↓ MOL2 SDF SMILES Flexibase

746886

Analogs

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Popular Name: 5-(cyclopropanecarbonylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(cyclopropanecarbonylamino)-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)	1.99	-4.12	-14.38	2	6	0	70	357.454	6	↓ MOL2 SDF SMILES Flexibase

746887

Analogs

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Popular Name: 5-(cyclopropanecarbonylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(cyclopropanecarbonylamino)-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)	1.99	-4.16	-14.29	2	6	0	70	357.454	6	↓ MOL2 SDF SMILES Flexibase

746888

Analogs

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Popular Name: 5-(3-cyclopentylpropanoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3-cyclopentylpropanoylamino)-…

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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	9.86	-12.24	2	6	0	71	413.562	8	↓ MOL2 SDF SMILES Flexibase

746889

Analogs

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Popular Name: 5-(3-cyclopentylpropanoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3-cyclopentylpropanoylamino)-…

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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	9.83	-12.66	2	6	0	71	413.562	8	↓ MOL2 SDF SMILES Flexibase

746890

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide N-[4-pyrrolidino-3-[[(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)	2.73	-4.48	-14.65	2	6	0	70	399.516	6	↓ MOL2 SDF SMILES Flexibase

746891

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide N-[4-pyrrolidino-3-[[(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)	2.73	-4.54	-14.22	2	6	0	70	399.516	6	↓ MOL2 SDF SMILES Flexibase

746892

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-furamide N-[4-pyrrolidino-3-[[(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)	2.09	-3.23	-14.74	2	7	0	83	383.448	6	↓ MOL2 SDF SMILES Flexibase

746893

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-furamide N-[4-pyrrolidino-3-[[(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)	2.09	-3.29	-14.3	2	7	0	83	383.448	6	↓ MOL2 SDF SMILES Flexibase

746894

Analogs

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Popular Name: 5-(3,3-dimethylbutanoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3,3-dimethylbutanoylamino)-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)	3.09	-2.89	-13.75	2	6	0	70	387.524	7	↓ MOL2 SDF SMILES Flexibase

746895

Analogs

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Popular Name: 5-(3,3-dimethylbutanoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(3,3-dimethylbutanoylamino)-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)	3.09	-2.94	-13.23	2	6	0	70	387.524	7	↓ MOL2 SDF SMILES Flexibase

746896

Analogs

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Popular Name: 5-(o-toluoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-toluoylamino)-2-pyrrolidino…

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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)	3.23	-3.24	-14.54	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746897

Analogs

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Popular Name: 5-(o-toluoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(o-toluoylamino)-2-pyrrolidino…

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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)	3.23	-3.3	-14.14	2	6	0	70	407.514	6	↓ MOL2 SDF SMILES Flexibase

746898

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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)	4.11	-2.35	-14.13	2	6	0	70	429.605	9	↓ MOL2 SDF SMILES Flexibase

746899

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2R)-tetrahydr…

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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)	4.11	-2.4	-13.57	2	6	0	70	429.605	9	↓ MOL2 SDF SMILES Flexibase

746900

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2S)-tetrahydr…

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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)	4.11	-2.41	-13.55	2	6	0	70	429.605	9	↓ MOL2 SDF SMILES Flexibase

746901

Analogs

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Popular Name: 2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzamide 2-pyrrolidino-N-[[(2S)-tetrahydr…

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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)	4.11	-2.47	-13.58	2	6	0	70	429.605	9	↓ MOL2 SDF SMILES Flexibase

746902

Analogs

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Popular Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[2-(4-chlorophenoxy)acetyl]am…

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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)	3.48	9.78	-16.49	2	7	0	80	457.958	8	↓ MOL2 SDF SMILES Flexibase

746903

Analogs

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Popular Name: 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[[2-(4-chlorophenoxy)acetyl]am…

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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)	3.48	9.75	-16.88	2	7	0	80	457.958	8	↓ MOL2 SDF SMILES Flexibase

746904

Analogs

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Popular Name: 5-(hydrocinnamoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(hydrocinnamoylamino)-2-pyrrol…

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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	10.27	-12.4	2	6	0	71	421.541	8	↓ MOL2 SDF SMILES Flexibase

746905

Analogs

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Popular Name: 5-(hydrocinnamoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(hydrocinnamoylamino)-2-pyrrol…

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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	10.24	-12.74	2	6	0	71	421.541	8	↓ MOL2 SDF SMILES Flexibase

746906

Analogs

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Popular Name: 5-[(2,2-diphenylacetyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2,2-diphenylacetyl)amino]-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)	4.31	11.46	-17.29	2	6	0	71	483.612	8	↓ MOL2 SDF SMILES Flexibase

746907

Analogs

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Popular Name: 5-[(2,2-diphenylacetyl)amino]-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2,2-diphenylacetyl)amino]-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)	4.31	11.43	-16.82	2	6	0	71	483.612	8	↓ MOL2 SDF SMILES Flexibase

746908

Analogs

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Popular Name: 3,4-dichloro-N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,4-dichloro-N-[4-pyrrolidino-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)	4.11	-3.79	-13.79	2	6	0	70	462.377	6	↓ MOL2 SDF SMILES Flexibase

746909

Analogs

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Popular Name: 3,4-dichloro-N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]benzamide 3,4-dichloro-N-[4-pyrrolidino-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)	4.11	-3.84	-13.43	2	6	0	70	462.377	6	↓ MOL2 SDF SMILES Flexibase

746910

Analogs

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Popular Name: 5-[(2-fluorobenzoyl)amino]-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-[(2-fluorobenzoyl)amino]-2-pyr…

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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)	2.94	-2.85	-19.23	2	6	0	70	411.477	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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