ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

428

Analogs

1846409

Draw Identity 99% 90% 80% 70%

Popular Name: profen profen

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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)	4.01	2.71	-12.16	0	3	0	35	264.708	4	↓ MOL2 SDF SMILES Flexibase

446

Analogs

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Popular Name: 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid 4-(4-Methoxynaphthalen-1-yl)-4-o…

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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)	2.42	8.11	-48.35	0	4	-1	66	257.265	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	6.13	-10.15	1	4	0	64	258.273	5	↓ MOL2 SDF SMILES Flexibase

478

Analogs

897074

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Popular Name: MI MI

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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)	4.88	2.45	-51.68	0	3	-1	49	285.363	5	↓ MOL2 SDF SMILES Flexibase

530

Analogs

1999296

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Popular Name: INN) 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)	3.59	0.31	-6.9	1	2	0	37	240.302	1	↓ MOL2 SDF SMILES Flexibase

653

Analogs

5003998
17113364
17113365
60478122

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Popular Name: SC-27761 SC-27761

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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)	-0.70	9	-35.77	1	3	1	29	288.411	6	↓ MOL2 SDF SMILES Flexibase

666

Analogs

967921
44119027
44119030
44127153
44127156

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Popular Name: pronetalol hydrochloride pronetalol hydrochloride

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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)	2.77	5.72	-40.22	3	2	1	37	230.331	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	4.43	-4.73	2	2	0	32	229.323	4	↓ MOL2 SDF SMILES Flexibase

828

Analogs

1842638

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Popular Name: Vedaprofen Vedaprofen

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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)	4.69	1.77	-51.07	0	2	-1	40	281.375	3	↓ MOL2 SDF SMILES Flexibase

867

Analogs

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Popular Name: 2-Methylnaphthalene-1,4-diyl diacetate 2-Methylnaphthalene-1,4-diyl dia…

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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)	2.53	9.78	-15.18	0	4	0	53	258.273	4	↓ MOL2 SDF SMILES Flexibase

746851

Analogs

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Popular Name: N-[3-(3-pyridylmethylcarbamoyl)-4-pyrrolidino-phenyl]-2-naphthamide N-[3-(3-pyridylmethylcarbamoyl)-…

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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)	3.80	10.74	-18.63	2	6	0	74	450.542	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.80	11.18	-57.74	3	6	1	76	451.55	6	↓ MOL2 SDF SMILES Flexibase

746920

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-naphthamide 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)	4.01	11.06	-13.5	2	6	0	71	443.547	6	↓ MOL2 SDF SMILES Flexibase

746921

Analogs

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Popular Name: N-[4-pyrrolidino-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-naphthamide 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)	4.01	11.03	-14.05	2	6	0	71	443.547	6	↓ MOL2 SDF SMILES Flexibase

747107

Analogs

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Popular Name: N-[3-(piperidine-1-carbonyl)-4-pyrrolidino-phenyl]-1-naphthamide N-[3-(piperidine-1-carbonyl)-4-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)	4.29	-2.57	-14.63	1	5	0	52	427.548	4	↓ MOL2 SDF SMILES Flexibase

747108

Analogs

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Popular Name: N-[3-(piperidine-1-carbonyl)-4-pyrrolidino-phenyl]-2-naphthamide N-[3-(piperidine-1-carbonyl)-4-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)	4.32	-2.4	-15.99	1	5	0	52	427.548	4	↓ MOL2 SDF SMILES Flexibase

747399

Analogs

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Popular Name: N-isobutyl-5-(1-naphthylcarbamoylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(1-naphthylcarbamoy…

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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)	5.05	10.3	-20.97	3	6	0	73	430.552	6	↓ MOL2 SDF SMILES Flexibase

747428

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(1-naphthylcarbamoylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.80	11.94	-20.06	3	6	0	73	458.606	6	↓ MOL2 SDF SMILES Flexibase

747600

Analogs

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Popular Name: 1-[4-(4-methylpiperidino)-3-(piperidine-1-carbonyl)phenyl]-3-(1-naphthyl)urea 1-[4-(4-methylpiperidino)-3-(pip…

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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)	5.36	12.24	-19.66	2	6	0	65	470.617	4	↓ MOL2 SDF SMILES Flexibase

747798

Analogs

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Popular Name: N-isobutyl-5-(1-naphthylsulfonylamino)-2-pyrrolidino-benzamide N-isobutyl-5-(1-naphthylsulfonyl…

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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)	4.61	-4.8	-14.94	2	6	0	78	451.592	7	↓ MOL2 SDF SMILES Flexibase

747807

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(2-naphthylsulfonylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.38	-4.42	-13.32	2	6	0	78	479.646	7	↓ MOL2 SDF SMILES Flexibase

747809

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(1-naphthylsulfonylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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)	5.36	-4.55	-15.05	2	6	0	78	479.646	7	↓ MOL2 SDF SMILES Flexibase

747817

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isobutyl-5-(1-naphthylsulfonylamino)benzamide 2-(3,4-dihydro-1H-isoquinolin-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)	5.60	-4.33	-15.71	2	6	0	78	513.663	7	↓ MOL2 SDF SMILES Flexibase

747824

Analogs

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Popular Name: N-isopropyl-2-(4-methylpiperidino)-5-(2-naphthylsulfonylamino)benzamide N-isopropyl-2-(4-methylpiperidin…

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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)	4.93	-4.49	-13.63	2	6	0	78	465.619	6	↓ MOL2 SDF SMILES Flexibase

747920

Analogs

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Popular Name: N-[3-(isopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-1-naphthamide N-[3-(isopropylcarbamoyl)-4-[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)	5.48	11.8	-21.81	2	7	0	74	522.649	7	↓ MOL2 SDF SMILES Flexibase

747921

Analogs

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Popular Name: N-[3-(isopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-2-naphthamide N-[3-(isopropylcarbamoyl)-4-[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)	5.51	11.66	-20.94	2	7	0	74	522.649	7	↓ MOL2 SDF SMILES Flexibase

748599

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-5-(1-naphthylcarbamoylamino)-2-piperidino-benzamide N-[(1R)-1-methylpropyl]-5-(1-nap…

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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)	5.64	12.58	-13.82	3	6	0	73	444.579	6	↓ MOL2 SDF SMILES Flexibase

748600

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-5-(1-naphthylcarbamoylamino)-2-piperidino-benzamide N-[(1S)-1-methylpropyl]-5-(1-nap…

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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)	5.64	12.58	-13.87	3	6	0	73	444.579	6	↓ MOL2 SDF SMILES Flexibase

748662

Analogs

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Popular Name: 1-(1-naphthyl)-3-[4-piperidino-3-(pyrrolidine-1-carbonyl)phenyl]urea 1-(1-naphthyl)-3-[4-piperidino-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)	4.61	11.29	-18.42	2	6	0	65	442.563	4	↓ MOL2 SDF SMILES Flexibase

748723

Analogs

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Popular Name: 5-(1-naphthylcarbamoylamino)-2-piperidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(1-naphthylcarbamoylamino)-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)	4.81	11.13	-13.61	3	7	0	83	472.589	6	↓ MOL2 SDF SMILES Flexibase

748724

Analogs

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Popular Name: 5-(1-naphthylcarbamoylamino)-2-piperidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(1-naphthylcarbamoylamino)-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)	4.81	11.1	-14.19	3	7	0	83	472.589	6	↓ MOL2 SDF SMILES Flexibase

748893

Analogs

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Popular Name: 1-(1-naphthyl)-3-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidino-phenyl]urea 1-(1-naphthyl)-3-[3-(pyrrolidine…

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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	9.79	-18.93	2	6	0	65	428.536	4	↓ MOL2 SDF SMILES Flexibase

749121

Analogs

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Popular Name: N-(4-fluorobenzyl)-5-(1-naphthylcarbamoylamino)-2-pyrrolidino-benzamide N-(4-fluorobenzyl)-5-(1-naphthyl…

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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)	5.49	11.94	-20.72	3	6	0	73	482.559	6	↓ MOL2 SDF SMILES Flexibase

749194

Analogs

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Popular Name: 5-(1-naphthylcarbamoylamino)-2-pyrrolidino-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 5-(1-naphthylcarbamoylamino)-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)	4.30	10.41	-13.99	3	7	0	83	458.562	6	↓ MOL2 SDF SMILES Flexibase

749195

Analogs

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Popular Name: 5-(1-naphthylcarbamoylamino)-2-pyrrolidino-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 5-(1-naphthylcarbamoylamino)-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)	4.30	10.38	-14.55	3	7	0	83	458.562	6	↓ MOL2 SDF SMILES Flexibase

749422

Analogs

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Popular Name: 1-[[5-(m-anisylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-(1-naphthyl)urea 1-[[5-(m-anisylthio)-4-(p-tolyl)…

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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)	5.90	14.77	-16.1	2	7	0	81	509.635	8	↓ MOL2 SDF SMILES Flexibase

749534

Analogs

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Popular Name: N-[3-(diethylcarbamoyl)-4-piperidino-phenyl]-1-naphthamide N-[3-(diethylcarbamoyl)-4-piperi…

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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)	4.64	-0.35	-16.18	1	5	0	52	429.564	6	↓ MOL2 SDF SMILES Flexibase

749535

Analogs

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Popular Name: N-[3-(diethylcarbamoyl)-4-piperidino-phenyl]-2-naphthamide N-[3-(diethylcarbamoyl)-4-piperi…

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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)	4.67	-0.45	-15.27	1	5	0	52	429.564	6	↓ MOL2 SDF SMILES Flexibase

749693

Analogs

35706701

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Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-1-naphthamide N-[3-(4-methylpiperidine-1-carbo…

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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)	5.04	13.19	-15.98	1	5	0	53	455.602	4	↓ MOL2 SDF SMILES Flexibase

749694

Analogs

35713158

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Popular Name: N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidino-phenyl]-2-naphthamide N-[3-(4-methylpiperidine-1-carbo…

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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)	5.07	13.34	-17.3	1	5	0	53	455.602	4	↓ MOL2 SDF SMILES Flexibase

749745

Analogs

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Popular Name: N-[3-(cyclopropylcarbamoyl)-4-piperidino-phenyl]-1-naphthamide N-[3-(cyclopropylcarbamoyl)-4-pi…

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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)	4.49	-1.97	-15.11	2	5	0	61	413.521	5	↓ MOL2 SDF SMILES Flexibase

749783

Analogs

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Popular Name: N-[3-(diethylcarbamoyl)-4-pyrrolidino-phenyl]-1-naphthamide N-[3-(diethylcarbamoyl)-4-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)	4.14	-1.29	-17.04	1	5	0	52	415.537	6	↓ MOL2 SDF SMILES Flexibase

749784

Analogs

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Popular Name: N-[3-(diethylcarbamoyl)-4-pyrrolidino-phenyl]-2-naphthamide N-[3-(diethylcarbamoyl)-4-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)	4.16	-1.36	-16.13	1	5	0	52	415.537	6	↓ MOL2 SDF SMILES Flexibase

750048

Analogs

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Popular Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-1-naphthamide N-[3-(cyclopropylcarbamoyl)-4-[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)	5.17	-3.45	-17.79	2	7	0	73	520.633	7	↓ MOL2 SDF SMILES Flexibase

750193

Analogs

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Popular Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-1-naphthamide N-[3-(cyclopropylcarbamoyl)-4-(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)	4.97	-1.78	-15.67	2	5	0	61	461.565	5	↓ MOL2 SDF SMILES Flexibase

750195

Analogs

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Popular Name: N-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-naphthamide N-[3-(cyclopropylcarbamoyl)-4-(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)	4.99	13.51	-19.33	2	5	0	61	461.565	5	↓ MOL2 SDF SMILES Flexibase

750583

Analogs

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Popular Name: N-[4-(4-methylpiperidino)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-1-naphthamide N-[4-(4-methylpiperidino)-3-[[(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)	4.73	-2.75	-16.3	2	6	0	70	471.601	6	↓ MOL2 SDF SMILES Flexibase

750585

Analogs

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Popular Name: N-[4-(4-methylpiperidino)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-1-naphthamide N-[4-(4-methylpiperidino)-3-[[(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)	4.73	-2.81	-15.81	2	6	0	70	471.601	6	↓ MOL2 SDF SMILES Flexibase

750586

Analogs

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Popular Name: N-[4-(4-methylpiperidino)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-naphthamide N-[4-(4-methylpiperidino)-3-[[(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)	4.76	12.37	-12.83	2	6	0	71	471.601	6	↓ MOL2 SDF SMILES Flexibase

750588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-methylpiperidino)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2-naphthamide N-[4-(4-methylpiperidino)-3-[[(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)	4.76	12.33	-13.54	2	6	0	71	471.601	6	↓ MOL2 SDF SMILES Flexibase

750746

Analogs

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Popular Name: N,N-diethyl-5-(1-naphthylcarbamoylamino)-2-piperidino-benzamide N,N-diethyl-5-(1-naphthylcarbamo…

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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)	4.96	12.02	-19.66	2	6	0	65	444.579	6	↓ MOL2 SDF SMILES Flexibase

751033

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[ethyl(1-naphthylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	6.25	14.33	-20.43	2	8	0	88	499.615	8	↓ MOL2 SDF SMILES Flexibase

751088

Analogs

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Popular Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-2-[methyl(1-naphthylcarbamoyl)amino]acetamide N-[5-tert-butyl-2-(4-methoxyphen…

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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)	5.87	13.33	-24.25	2	8	0	88	485.588	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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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">
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