ZINC 12

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ZINC Item

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65321356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(4-ethoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(4-ethoxyanilino)-[1,3…

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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)	5.09	8.44	-12.4	1	6	0	69	417.288	4	↓ MOL2 SDF SMILES Flexibase

65321360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-ethoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(4-ethoxyanilino)-[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)	4.96	8.34	-12.57	1	6	0	69	372.837	4	↓ MOL2 SDF SMILES Flexibase

65321361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(3-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(3-methoxyanilino)-[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)	4.69	7.53	-13.21	1	6	0	69	403.261	3	↓ MOL2 SDF SMILES Flexibase

65321363

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)	4.60	9.28	-18.15	1	7	0	86	366.402	4	↓ MOL2 SDF SMILES Flexibase

65329959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-difluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2,5-difluoroanilino)-[1,3,4]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)	4.13	7.77	-13.97	1	5	0	59	330.319	2	↓ MOL2 SDF SMILES Flexibase

65329963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2,5-dimethylanilino)-[1,3,4]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)	4.70	8.93	-13.85	1	5	0	59	322.393	2	↓ MOL2 SDF SMILES Flexibase

65329965

Analogs

Draw Identity 99% 90% 80% 70%

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)	4.47	8.95	-12.65	1	7	0	86	366.402	4	↓ MOL2 SDF SMILES Flexibase

65329966

Analogs

Draw Identity 99% 90% 80% 70%

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)	4.57	9.75	-17.48	1	9	0	112	424.438	6	↓ MOL2 SDF SMILES Flexibase

65329967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2-fluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2-fluoroanilino)-[1,3…

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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)	4.77	8.17	-12.7	1	5	0	59	391.225	2	↓ MOL2 SDF SMILES Flexibase

65329968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2,4-difluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2,4-difluoroanilino)-…

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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)	4.91	8.24	-11.46	1	5	0	59	409.215	2	↓ MOL2 SDF SMILES Flexibase

65329969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2,6-dimethylanilino)-…

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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)	5.46	10.23	-10.88	1	5	0	59	401.289	2	↓ MOL2 SDF SMILES Flexibase

65329971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2-methoxyanilino)-[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)	4.67	7.48	-12.9	1	6	0	69	403.261	3	↓ MOL2 SDF SMILES Flexibase

65329972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(3,4-difluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(3,4-difluoroanilino)-…

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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)	4.91	8.35	-12.77	1	5	0	59	409.215	2	↓ MOL2 SDF SMILES Flexibase

65329973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2-methylanilino)-[1,3…

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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)	5.06	9.05	-11.4	1	5	0	59	387.262	2	↓ MOL2 SDF SMILES Flexibase

65329974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2,4-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2,4-dimethylanilino)-…

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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	9.73	-11.18	1	5	0	59	401.289	2	↓ MOL2 SDF SMILES Flexibase

65329975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(3-methylanilino)-[1,3…

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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)	5.08	8.9	-11.67	1	5	0	59	387.262	2	↓ MOL2 SDF SMILES Flexibase

65329979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2,6-diethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2,6-diethylanilino)-[…

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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)	6.39	11.15	-10.72	1	5	0	59	429.343	4	↓ MOL2 SDF SMILES Flexibase

65329980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(2,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(2,5-dimethylanilino)-…

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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	9.55	-11.53	1	5	0	59	401.289	2	↓ MOL2 SDF SMILES Flexibase

65329981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-bromo-2-(4-methoxyanilino)-[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)	4.71	7.52	-12.56	1	6	0	69	403.261	3	↓ MOL2 SDF SMILES Flexibase

65329982

Analogs

Draw Identity 99% 90% 80% 70%

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)	4.80	8.87	-16.75	1	7	0	86	431.271	4	↓ MOL2 SDF SMILES Flexibase

65329983

Analogs

17121844

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,6-dimethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2,6-dimethylanilino)-7-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)	5.10	9.64	-13.12	1	5	0	59	336.42	2	↓ MOL2 SDF SMILES Flexibase

65329984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(4-ethylanilino)-7-methyl-[1,3…

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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)	5.21	9.72	-13.4	1	5	0	59	336.42	3	↓ MOL2 SDF SMILES Flexibase

65329987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-2-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-methyl-2-(4-methylanilino)-[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)	4.75	8.95	-13.58	1	5	0	59	322.393	2	↓ MOL2 SDF SMILES Flexibase

65329988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyl-6-methyl-anilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2-ethyl-6-methyl-anilino)-7-m…

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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)	5.56	10.43	-12.98	1	5	0	59	350.447	3	↓ MOL2 SDF SMILES Flexibase

65329989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(4-methoxyanilino)-7-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)	4.35	7.58	-14.68	1	6	0	69	338.392	3	↓ MOL2 SDF SMILES Flexibase

65329990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(2,6-dimethylanilino)…

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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)	5.33	10.12	-11.06	1	5	0	59	356.838	2	↓ MOL2 SDF SMILES Flexibase

65329992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(2-methylanilino)-[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)	4.93	8.96	-11.58	1	5	0	59	342.811	2	↓ MOL2 SDF SMILES Flexibase

65329993

Analogs

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Popular Name: 7-chloro-2-(4-ethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(4-ethylanilino)-[1,3…

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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)	5.44	9.56	-11.58	1	5	0	59	356.838	3	↓ MOL2 SDF SMILES Flexibase

65329998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(4-methylanilino)-[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)	4.97	8.8	-11.75	1	5	0	59	342.811	2	↓ MOL2 SDF SMILES Flexibase

65329999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-2-(3,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(3,5-dimethylanilino)…

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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)	5.35	9.46	-11.55	1	5	0	59	356.838	2	↓ MOL2 SDF SMILES Flexibase

65330000

Analogs

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Popular Name: 7-chloro-2-(2-ethyl-6-methyl-anilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(2-ethyl-6-methyl-ani…

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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)	5.79	10.27	-11.17	1	5	0	59	370.865	3	↓ MOL2 SDF SMILES Flexibase

65330002

Analogs

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Popular Name: 8-chloro-2-(2-fluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(2-fluoroanilino)-[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)	4.64	8.07	-11.38	1	5	0	59	346.774	2	↓ MOL2 SDF SMILES Flexibase

65330003

Analogs

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Popular Name: 8-chloro-2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(2,6-dimethylanilino)…

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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)	5.33	10.12	-9.77	1	5	0	59	356.838	2	↓ MOL2 SDF SMILES Flexibase

65330004

Analogs

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Popular Name: 8-chloro-2-(3,4-difluoroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(3,4-difluoroanilino)…

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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)	4.78	8.24	-11.61	1	5	0	59	364.764	2	↓ MOL2 SDF SMILES Flexibase

65330005

Analogs

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Popular Name: 8-chloro-2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(2-methylanilino)-[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)	4.93	8.96	-10.26	1	5	0	59	342.811	2	↓ MOL2 SDF SMILES Flexibase

65330006

Analogs

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Popular Name: 8-chloro-2-(4-ethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(4-ethylanilino)-[1,3…

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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)	5.44	9.56	-10.23	1	5	0	59	356.838	3	↓ MOL2 SDF SMILES Flexibase

65330007

Analogs

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Popular Name: 8-chloro-2-(2,4-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(2,4-dimethylanilino)…

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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)	5.35	9.62	-10.03	1	5	0	59	356.838	2	↓ MOL2 SDF SMILES Flexibase

65330008

Analogs

17053020

Draw Identity 99% 90% 80% 70%

Popular Name: 8-chloro-2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(3-methylanilino)-[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)	4.95	8.81	-10.51	1	5	0	59	342.811	2	↓ MOL2 SDF SMILES Flexibase

65330012

Analogs

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Popular Name: 8-chloro-2-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(4-methylanilino)-[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)	4.97	8.8	-10.37	1	5	0	59	342.811	2	↓ MOL2 SDF SMILES Flexibase

65330013

Analogs

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Popular Name: 8-chloro-2-(3,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(3,5-dimethylanilino)…

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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)	5.35	9.46	-10.19	1	5	0	59	356.838	2	↓ MOL2 SDF SMILES Flexibase

65330014

Analogs

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Popular Name: 8-chloro-2-(2-ethyl-6-methyl-anilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-chloro-2-(2-ethyl-6-methyl-ani…

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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)	5.79	10.27	-9.81	1	5	0	59	370.865	3	↓ MOL2 SDF SMILES Flexibase

65330017

Analogs

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Popular Name: 2-(4-chloroanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(4-chloroanilino)-8-fluoro-[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)	4.69	8.21	-10.67	1	5	0	59	346.774	2	↓ MOL2 SDF SMILES Flexibase

65330018

Analogs

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Popular Name: 8-fluoro-2-(2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-fluoro-2-(2-methoxyanilino)-[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)	4.02	6.95	-11.75	1	6	0	69	342.355	3	↓ MOL2 SDF SMILES Flexibase

65330019

Analogs

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Popular Name: 2-(3,4-difluoroanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(3,4-difluoroanilino)-8-fluoro…

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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)	4.27	7.81	-11.78	1	5	0	59	348.309	2	↓ MOL2 SDF SMILES Flexibase

65330020

Analogs

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Popular Name: 8-fluoro-2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-fluoro-2-(3-methylanilino)-[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)	4.44	8.36	-10.61	1	5	0	59	326.356	2	↓ MOL2 SDF SMILES Flexibase

65330022

Analogs

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Popular Name: 8-fluoro-2-(4-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-fluoro-2-(4-methylanilino)-[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)	4.46	8.36	-10.47	1	5	0	59	326.356	2	↓ MOL2 SDF SMILES Flexibase

65330023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(3,5-dimethylanilino)-8-fluoro…

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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)	4.84	9.03	-10.24	1	5	0	59	340.383	2	↓ MOL2 SDF SMILES Flexibase

65330024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2,5-dimethylanilino)-8-fluoro…

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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)	4.84	9.01	-10.44	1	5	0	59	340.383	2	↓ MOL2 SDF SMILES Flexibase

65330025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-fluoro-2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 8-fluoro-2-(4-methoxyanilino)-[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)	4.07	6.98	-11.52	1	6	0	69	342.355	3	↓ MOL2 SDF SMILES Flexibase

65330026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,6-dimethylanilino)-7,8-dimethoxy-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(2,6-dimethylanilino)-7,8-dime…

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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	8.84	-12.73	1	7	0	78	382.445	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.30	9.07	-37.54	2	7	1	79	383.453	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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