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ZINC Item

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5781848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-5-nitro-phenyl)carbamoylmethyl]-4-oxo-phthalazine-1-carboxylic 3-[(2-chloro-5-nitro-phenyl)carb…

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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)	2.43	-0.05	-62.98	1	10	-1	149	401.742	5	↓ MOL2 SDF SMILES Flexibase

32071635

Analogs

32093004

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-(7,8-dimethoxy-1-oxo-phthalazin-2-yl)acetamide N-(2,4-dichlorophenyl)-2-(7,8-di…

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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)	3.16	7.66	-20.73	1	7	0	82	408.241	5	↓ MOL2 SDF SMILES Flexibase

21542172

Analogs

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Popular Name: 3-[2-[(5-chloro-2-fluoro-phenyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide 3-[2-[(5-chloro-2-fluoro-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)	1.88	3.71	-19.17	3	7	0	107	374.759	4	↓ MOL2 SDF SMILES Flexibase

13008084

Analogs

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Popular Name: 2-methoxy-N-[3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]phenyl]acetamide 2-methoxy-N-[3-[[2-(1-oxophthala…

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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)	1.19	5.24	-25.43	2	8	0	102	366.377	6	↓ MOL2 SDF SMILES Flexibase

22760642

Analogs

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Popular Name: N-(3-chloro-2-fluoro-phenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3-chloro-2-fluoro-phenyl)-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)	3.02	7.41	-17.84	1	5	0	64	345.761	3	↓ MOL2 SDF SMILES Flexibase

60486688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2,6-difluorophenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	7.04	-22.57	1	5	0	64	329.306	3	↓ MOL2 SDF SMILES Flexibase

14224238

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(1-oxophthalazin-2-yl)acetamide N-(2-chloro-4,6-dimethyl-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)	3.48	8.5	-18.77	1	5	0	64	341.798	3	↓ MOL2 SDF SMILES Flexibase

14224258

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1-oxophthalazin-2-yl)acetamide N-(5-acetamido-2-methoxy-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)	1.26	4.54	-23.13	2	8	0	102	366.377	5	↓ MOL2 SDF SMILES Flexibase

14224342

Analogs

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Popular Name: N,N-dimethyl-4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzamide N,N-dimethyl-4-[[2-(1-oxophthala…

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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)	1.02	6.1	-22.92	1	7	0	84	350.378	4	↓ MOL2 SDF SMILES Flexibase

14224346

Analogs

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Popular Name: N-(2-ethylphenyl)-2-(1-oxophthalazin-2-yl)acetamide N-(2-ethylphenyl)-2-(1-oxophthal…

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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	7.92	-19.2	1	5	0	64	307.353	4	↓ MOL2 SDF SMILES Flexibase

3402992

Analogs

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Popular Name: 3-[2-(2-chloro-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate 3-[2-(2-chloro-4-methyl-anilino)…

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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	-0.25	-55.65	1	7	-1	104	370.772	4	↓ MOL2 SDF SMILES Flexibase

69197206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 2-(1,4-dioxo-3H-phthalazin-2-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)	2.83	3.79	-59.5	1	6	-1	87	362.287	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.83	3.06	-19.68	2	6	0	84	363.295	4	↓ MOL2 SDF SMILES Flexibase

69463776

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3,4-dimethylphenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	7.96	-19.86	1	5	0	64	321.38	3	↓ MOL2 SDF SMILES Flexibase

69463795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2,3-dimethylphenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	8.15	-19.8	1	5	0	64	321.38	3	↓ MOL2 SDF SMILES Flexibase

69463802

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3-methoxyphenyl)-2-(4-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)	2.31	6.11	-22.9	1	6	0	73	323.352	4	↓ MOL2 SDF SMILES Flexibase

69463805

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-methoxy-5-methyl-phenyl)-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)	2.71	6.84	-20.04	1	6	0	73	337.379	4	↓ MOL2 SDF SMILES Flexibase

69463810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3,4-difluorophenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	6.93	-22.01	1	5	0	64	329.306	3	↓ MOL2 SDF SMILES Flexibase

69463815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2,4-difluorophenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	6.98	-16.83	1	5	0	64	329.306	3	↓ MOL2 SDF SMILES Flexibase

69463819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(4-bromo-2-fluoro-phenyl)-2-(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)	3.17	7.54	-16.6	1	5	0	64	390.212	3	↓ MOL2 SDF SMILES Flexibase

69463826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-ethoxyphenyl)-2-(4-methyl-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)	2.66	7.1	-19.49	1	6	0	73	337.379	5	↓ MOL2 SDF SMILES Flexibase

69463840

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3,5-dimethylphenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	8.07	-19.84	1	5	0	64	321.38	3	↓ MOL2 SDF SMILES Flexibase

69463843

Analogs

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Popular Name: N-(2,6-diethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2,6-diethylphenyl)-2-(4-methy…

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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)	3.07	9.82	-19.07	1	5	0	64	349.434	5	↓ MOL2 SDF SMILES Flexibase

69463863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(4-ethylphenyl)-2-(4-methyl-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)	3.19	8.17	-19.56	1	5	0	64	321.38	4	↓ MOL2 SDF SMILES Flexibase

69463867

Analogs

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Popular Name: N-(2-isopropylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-isopropylphenyl)-2-(4-methy…

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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	8.9	-19.43	1	5	0	64	335.407	4	↓ MOL2 SDF SMILES Flexibase

69463877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-methoxyphenyl)-2-(4-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)	2.28	6.22	-20.12	1	6	0	73	323.352	4	↓ MOL2 SDF SMILES Flexibase

69463880

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(4-ethoxyphenyl)-2-(4-methyl-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)	2.71	6.96	-20.15	1	6	0	73	337.379	5	↓ MOL2 SDF SMILES Flexibase

69463899

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-fluorophenyl)-2-(4-methyl-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)	2.39	6.91	-18.73	1	5	0	64	311.316	3	↓ MOL2 SDF SMILES Flexibase

69463924

Analogs

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Popular Name: N-(3-ethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3-ethylphenyl)-2-(4-methyl-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)	3.17	8.17	-19.39	1	5	0	64	321.38	4	↓ MOL2 SDF SMILES Flexibase

69463931

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2,5-difluorophenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	6.98	-18.98	1	5	0	64	329.306	3	↓ MOL2 SDF SMILES Flexibase

69463936

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(5-fluoro-2-methyl-phenyl)-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)	2.81	7.7	-22.3	1	5	0	64	325.343	3	↓ MOL2 SDF SMILES Flexibase

69463937

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3-fluorophenyl)-2-(4-methyl-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)	2.41	6.87	-21.7	1	5	0	64	311.316	3	↓ MOL2 SDF SMILES Flexibase

69463944

Analogs

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Popular Name: N-[2-(difluoromethoxy)phenyl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-[2-(difluoromethoxy)phenyl]-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)	2.84	6.5	-20.98	1	6	0	73	359.332	5	↓ MOL2 SDF SMILES Flexibase

69463948

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-fluoro-4-methyl-phenyl)-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)	2.81	7.55	-18.16	1	5	0	64	325.343	3	↓ MOL2 SDF SMILES Flexibase

69463959

Analogs

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Popular Name: N-(2-ethylphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(2-ethylphenyl)-2-(4-methyl-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)	3.14	8.41	-19.48	1	5	0	64	321.38	4	↓ MOL2 SDF SMILES Flexibase

66061316

Analogs

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Popular Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-isopropyl-6-methyl-phenyl)acetamide 2-(1,4-dioxo-3H-phthalazin-2-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)	2.41	5.85	-56.13	1	6	-1	87	350.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.41	5.12	-16.6	2	6	0	84	351.406	4	↓ MOL2 SDF SMILES Flexibase

49544079

Analogs

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Popular Name: 2-(4-chloro-1-oxo-phthalazin-2-yl)-N-(4-isopropylphenyl)acetamide 2-(4-chloro-1-oxo-phthalazin-2-y…

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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)	4.37	8.49	-15.74	1	5	0	64	355.825	4	↓ MOL2 SDF SMILES Flexibase

49544232

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Popular Name: N-(4-acetamidophenyl)-2-(4-chloro-1-oxo-phthalazin-2-yl)acetamide N-(4-acetamidophenyl)-2-(4-chlor…

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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)	2.07	5.49	-24.51	2	7	0	93	370.796	4	↓ MOL2 SDF SMILES Flexibase

49545223

Analogs

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Popular Name: 2-(4-chloro-1-oxo-phthalazin-2-yl)-N-(4-methoxyphenyl)acetamide 2-(4-chloro-1-oxo-phthalazin-2-y…

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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	5.87	-16.73	1	6	0	73	343.77	4	↓ MOL2 SDF SMILES Flexibase

49545809

Analogs

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Popular Name: 2-(4-chloro-1-oxo-phthalazin-2-yl)-N-(2-methoxyphenyl)acetamide 2-(4-chloro-1-oxo-phthalazin-2-y…

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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)	2.86	6.02	-15.97	1	6	0	73	343.77	4	↓ MOL2 SDF SMILES Flexibase

49546192

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide N-(3,5-dimethoxyphenyl)-2-(4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	5.42	-22.56	1	7	0	82	353.378	5	↓ MOL2 SDF SMILES Flexibase

49546607

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	7.23	-17.9	1	7	0	90	371.78	5	↓ MOL2 SDF SMILES Flexibase

49546754

Analogs

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Popular Name: N-(4-acetylphenyl)-2-(4-chloro-1-oxo-phthalazin-2-yl)acetamide N-(4-acetylphenyl)-2-(4-chloro-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)	2.75	7.07	-18.22	1	6	0	81	355.781	4	↓ MOL2 SDF SMILES Flexibase

49547612

Analogs

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Popular Name: N-(3-bromophenyl)-2-(4-chloro-1-oxo-phthalazin-2-yl)acetamide N-(3-bromophenyl)-2-(4-chloro-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)	3.64	7.21	-17.05	1	5	0	64	392.64	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3053
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 = 3053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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">
    window.zinc.embed('zinc-link', {
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    });
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