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ZINC Item

Suppliers, Protomers, & Similar Substances

7449932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(2-fluorophenyl)-N-[2-(2-metho…

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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	2.05	-23.63	1	6	0	73	395.434	6	↓ MOL2 SDF SMILES Flexibase

7450142

Analogs

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Popular Name: 1-[(4-azepan-1-ylcarbonyl-1-piperidyl)carbonylmethyl]cinnolin-4-one 1-[(4-azepan-1-ylcarbonyl-1-pipe…

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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)	1.29	0.18	-25.99	0	7	0	75	396.491	3	↓ MOL2 SDF SMILES Flexibase

9134856

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-oxo-pyridazine-3-carboxamide 1-(3-chlorophenyl)-N-[4-(4-metho…

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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	2.59	-26.25	1	9	0	112	423.816	5	↓ MOL2 SDF SMILES Flexibase

29144601

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-[3-(methoxy…

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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)	3.18	9.3	-20.14	1	6	0	73	383.835	5	↓ MOL2 SDF SMILES Flexibase

45619423

Analogs

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Popular Name: N-[2-(2-furylmethylcarbamoyl)phenyl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbox N-[2-(2-furylmethylcarbamoyl)phe…

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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)	3.45	10.8	-21.8	2	8	0	106	496.445	7	↓ MOL2 SDF SMILES Flexibase

45853032

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-[(4-hydroxy…

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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	6.97	-18.82	2	6	0	84	369.808	4	↓ MOL2 SDF SMILES Flexibase

52841458

Analogs

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Popular Name: N-[(1S)-3-(2-furyl)-1-methyl-propyl]-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide N-[(1S)-3-(2-furyl)-1-methyl-pro…

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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	11	-28.05	1	9	0	123	396.403	7	↓ MOL2 SDF SMILES Flexibase

52841460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-(2-furyl)-1-methyl-propyl]-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide N-[(1R)-3-(2-furyl)-1-methyl-pro…

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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	11	-27.5	1	9	0	123	396.403	7	↓ MOL2 SDF SMILES Flexibase

52893149

Analogs

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Popular Name: 1-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]cinnolin-4-one 1-[3-(4-benzyl-1-piperidyl)-3-ox…

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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)	2.60	11.55	-13.11	0	5	0	55	375.472	5	↓ MOL2 SDF SMILES Flexibase

52893287

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(3,4,5-…

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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)	1.11	6.21	-19.07	1	8	0	92	383.404	7	↓ MOL2 SDF SMILES Flexibase

52893466

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N-(2-pyridylmethyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(2-pyri…

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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)	0.01	5.36	-13.79	1	6	0	77	308.341	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.01	5.76	-46.2	2	6	1	78	309.349	5	↓ MOL2 SDF SMILES Flexibase

52893699

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-chlorophenyl)ethyl]-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)	2.27	8.49	-14.89	1	5	0	64	355.825	6	↓ MOL2 SDF SMILES Flexibase

52893814

Analogs

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Popular Name: N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-methoxyphenyl)ethyl]-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)	1.64	7.27	-15.96	1	6	0	73	351.406	7	↓ MOL2 SDF SMILES Flexibase

52893848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(3,4-dimethoxyphenyl)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)	0.83	6.4	-16.3	1	7	0	82	367.405	7	↓ MOL2 SDF SMILES Flexibase

52894051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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)	1.23	7.16	-18.77	1	7	0	82	381.432	8	↓ MOL2 SDF SMILES Flexibase

52894161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(2-methoxyphenoxy)ethyl]-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)	1.08	6.7	-16.48	1	7	0	82	367.405	8	↓ MOL2 SDF SMILES Flexibase

52894394

Analogs

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Popular Name: N-[2-(1-adamantyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(1-adamantyl)ethyl]-3-(4-ox…

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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)	2.99	9.63	-12.15	1	5	0	64	379.504	6	↓ MOL2 SDF SMILES Flexibase

52894448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-2-morpholino-propyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methyl-2-morpholino-propyl)…

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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)	0.47	4.08	-12.4	1	7	0	76	358.442	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.47	6.05	-49.82	2	7	1	78	359.45	6	↓ MOL2 SDF SMILES Flexibase

52894525

Analogs

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Popular Name: N-(3-indol-1-ylpropyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3-indol-1-ylpropyl)-3-(4-oxoc…

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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)	1.97	9.96	-16.59	1	6	0	69	374.444	7	↓ MOL2 SDF SMILES Flexibase

52894876

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N-(3-phenylsulfanylpropyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(3-phen…

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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	9.2	-14.62	1	5	0	64	367.474	8	↓ MOL2 SDF SMILES Flexibase

52894963

Analogs

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Popular Name: N-[2-(3-chlorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3-chlorophenyl)ethyl]-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)	2.24	8.48	-14.63	1	5	0	64	355.825	6	↓ MOL2 SDF SMILES Flexibase

52894974

Analogs

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Popular Name: N-[2-(4-isopropylphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-isopropylphenyl)ethyl]-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)	3.10	9.9	-13.83	1	5	0	64	363.461	7	↓ MOL2 SDF SMILES Flexibase

52895306

Analogs

8369252

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]propanamide 3-(4-oxocinnolin-1-yl)-N-[2-(p-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)	2.35	10	-15.29	1	5	0	64	381.501	8	↓ MOL2 SDF SMILES Flexibase

52895489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide 3-(4-oxocinnolin-1-yl)-N-[2-oxo-…

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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)	1.22	7.83	-15.73	2	7	0	93	392.459	6	↓ MOL2 SDF SMILES Flexibase

52895574

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(2-methoxyphenyl)ethyl]-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)	1.60	7.32	-14.9	1	6	0	73	351.406	7	↓ MOL2 SDF SMILES Flexibase

52895666

Analogs

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Popular Name: N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3,4-difluoroanilino)-2-oxo…

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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)	1.21	5.7	-19.93	2	7	0	93	386.358	6	↓ MOL2 SDF SMILES Flexibase

52895836

Analogs

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Popular Name: N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(R)-(4-chlorophenyl)-cyclopro…

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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)	2.91	9.99	-12.34	1	5	0	64	381.863	6	↓ MOL2 SDF SMILES Flexibase

52895837

Analogs

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Popular Name: N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(S)-(4-chlorophenyl)-cyclopro…

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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)	2.91	10.51	-12.84	1	5	0	64	381.863	6	↓ MOL2 SDF SMILES Flexibase

52918844

Analogs

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Popular Name: 1-[2-(2-aminophenyl)ethyl]cinnolin-4-one 1-[2-(2-aminophenyl)ethyl]cinnol…

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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)	1.64	6.87	-10.44	2	4	0	61	265.316	3	↓ MOL2 SDF SMILES Flexibase

52928932

Analogs

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Popular Name: 1-[3-oxo-3-(1-piperidyl)propyl]cinnolin-4-one 1-[3-oxo-3-(1-piperidyl)propyl]c…

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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)	0.94	7.34	-11.86	0	5	0	55	285.347	3	↓ MOL2 SDF SMILES Flexibase

52928935

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxocinnolin-1-yl)propanamide N-(1,3-benzodioxol-5-ylmethyl)-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)	1.07	5.86	-15.94	1	7	0	82	351.362	5	↓ MOL2 SDF SMILES Flexibase

52929342

Analogs

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Popular Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(2-methoxyphenyl)piperaz…

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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)	1.62	9.21	-13.73	0	7	0	68	392.459	5	↓ MOL2 SDF SMILES Flexibase

52929732

Analogs

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Popular Name: 2-chloro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide 2-chloro-N'-[3-(4-oxocinnolin-1-…

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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)	1.21	6.43	-17.11	2	7	0	93	370.796	5	↓ MOL2 SDF SMILES Flexibase

52929967

Analogs

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Popular Name: N-(2-methoxy-5-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methoxy-5-nitro-phenyl)-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)	1.42	7.21	-18.57	1	9	0	119	368.349	6	↓ MOL2 SDF SMILES Flexibase

52929970

Analogs

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Popular Name: N-(1-adamantyl)-3-(4-oxocinnolin-1-yl)propanamide N-(1-adamantyl)-3-(4-oxocinnolin…

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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)	2.71	8.5	-11.61	1	5	0	64	351.45	4	↓ MOL2 SDF SMILES Flexibase

52929973

Analogs

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Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide N-[4-(difluoromethylsulfanyl)phe…

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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	8.37	-16.16	1	5	0	64	375.4	6	↓ MOL2 SDF SMILES Flexibase

52930049

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N-(4-phenylthiazol-2-yl)propanamide 3-(4-oxocinnolin-1-yl)-N-(4-phen…

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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)	2.21	9.18	-16.29	1	6	0	77	376.441	5	↓ MOL2 SDF SMILES Flexibase

52930099

Analogs

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Popular Name: 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cinnolin-4-one 1-[3-oxo-3-(4-phenylpiperazin-1-…

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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)	1.62	9.41	-13.59	0	6	0	58	362.433	4	↓ MOL2 SDF SMILES Flexibase

52930302

Analogs

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Popular Name: N-(4-methyl-3-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(4-methyl-3-nitro-phenyl)-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)	1.82	8.42	-16.6	1	8	0	110	352.35	5	↓ MOL2 SDF SMILES Flexibase

52930663

Analogs

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Popular Name: 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(2-fluorophenyl)piperazi…

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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)	1.73	9.92	-13.11	0	6	0	58	380.423	4	↓ MOL2 SDF SMILES Flexibase

52930668

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide 3-(4-oxocinnolin-1-yl)-N'-(2,4,6…

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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)	3.13	8.52	-11.57	2	6	0	76	411.676	5	↓ MOL2 SDF SMILES Flexibase

52930771

Analogs

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Popular Name: butyl butyl

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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	10.24	-16.62	1	7	0	90	393.443	9	↓ MOL2 SDF SMILES Flexibase

52930863

Analogs

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Popular Name: N-(2-bromophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-bromophenyl)-3-(4-oxocinnol…

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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	7.85	-12.36	1	5	0	64	372.222	4	↓ MOL2 SDF SMILES Flexibase

52930868

Analogs

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Popular Name: N-(2-methyl-5-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methyl-5-nitro-phenyl)-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)	1.82	8.68	-20.85	1	8	0	110	352.35	5	↓ MOL2 SDF SMILES Flexibase

52930871

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3,4-dichlorophenyl)-3-(4-oxoc…

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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	8.06	-15.38	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931028

Analogs

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Popular Name: N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3-acetamidophenyl)-3-(4-oxoci…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	5.99	-19.1	2	7	0	93	350.378	5	↓ MOL2 SDF SMILES Flexibase

52931037

Analogs

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Popular Name: N-(2,4-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2,4-dichlorophenyl)-3-(4-oxoc…

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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	8.22	-12.05	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931062

Analogs

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Popular Name: 3-(4-oxocinnolin-1-yl)-N-(4-phenylphenyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(4-phen…

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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)	3.27	10.48	-15.06	1	5	0	64	369.424	5	↓ MOL2 SDF SMILES Flexibase

52931065

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3,5-dichlorophenyl)-3-(4-oxoc…

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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	8.11	-13.58	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931068

Analogs

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Popular Name: N'-benzyl-3-(4-oxocinnolin-1-yl)-N'-phenyl-propanehydrazide N'-benzyl-3-(4-oxocinnolin-1-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	11.53	-16.15	1	6	0	67	398.466	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Permalink

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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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