ZINC 12

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	5.33	-15.71	1	6	0	69	302.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.11	5.8	-32.86	2	6	1	70	303.367	3	↓ MOL2 SDF SMILES Flexibase

65329962

Analogs

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Popular Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-[[(2R)-tetrahydrofuran-2-yl]me…

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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	5.36	-15.75	1	6	0	69	302.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.11	5.82	-32.83	2	6	1	70	303.367	3	↓ MOL2 SDF SMILES Flexibase

65329963

Analogs

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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

65329964

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)	2.26	5.7	-13.29	1	7	0	86	304.331	4	↓ MOL2 SDF SMILES Flexibase

65329965

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

65329966

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

65329967

Analogs

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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

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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

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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

65329970

Analogs

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Popular Name: 2-(benzylamino)-7-bromo-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(benzylamino)-7-bromo-[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)	3.92	8.65	-12.53	1	5	0	59	387.262	3	↓ MOL2 SDF SMILES Flexibase

65329971

Analogs

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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

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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

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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

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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

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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

65329976

Analogs

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

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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	6.78	-13.68	1	6	0	72	377.223	3	↓ MOL2 SDF SMILES Flexibase

65329977

Analogs

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

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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)	2.90	5.94	-13.6	1	6	0	69	381.255	3	↓ MOL2 SDF SMILES Flexibase

65329978

Analogs

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

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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)	2.90	5.97	-13.56	1	6	0	69	381.255	3	↓ MOL2 SDF SMILES Flexibase

65329979

Analogs

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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

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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

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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

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

65329983

Analogs

17121844

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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

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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

65329985

Analogs

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Popular Name: 7-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-methyl-2-[[(2S)-tetrahydrofura…

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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)	2.54	5.99	-15.43	1	6	0	69	316.386	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	6.42	-35.19	2	6	1	70	317.394	3	↓ MOL2 SDF SMILES Flexibase

65329986

Analogs

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Popular Name: 7-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-methyl-2-[[(2R)-tetrahydrofura…

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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)	2.54	6.03	-15.51	1	6	0	69	316.386	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	6.45	-35.26	2	6	1	70	317.394	3	↓ MOL2 SDF SMILES Flexibase

65329987

Analogs

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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

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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

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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

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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

65329991

Analogs

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

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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)	3.79	8.55	-12.81	1	5	0	59	342.811	3	↓ MOL2 SDF SMILES Flexibase

65329992

Analogs

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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

65329994

Analogs

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Popular Name: 7-chloro-2-(ethylamino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-(ethylamino)-[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)	2.77	5.55	-12.5	1	5	0	59	280.74	2	↓ MOL2 SDF SMILES Flexibase

65329995

Analogs

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

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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)	3.05	6.67	-13.9	1	6	0	72	332.772	3	↓ MOL2 SDF SMILES Flexibase

65329996

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Popular Name: 7-chloro-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-[[(2S)-tetrahydrofura…

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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	5.84	-13.78	1	6	0	69	336.804	3	↓ MOL2 SDF SMILES Flexibase

65329997

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Popular Name: 7-chloro-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 7-chloro-2-[[(2R)-tetrahydrofura…

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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	5.87	-13.78	1	6	0	69	336.804	3	↓ MOL2 SDF SMILES Flexibase

65329998

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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

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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

65330001

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Popular Name: 2-(allylamino)-7-chloro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one 2-(allylamino)-7-chloro-[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)	3.04	6.09	-12.16	1	5	0	59	292.751	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

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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