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ZINC Item

Suppliers, Protomers, & Similar Substances

20358153

Analogs

5150113

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-2,7,7-trimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 1-benzyl-2,7,7-trimethyl-4,4-bis…

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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)	5.11	10.99	-21.94	0	3	0	33	418.381	4	↓ MOL2 SDF SMILES Flexibase

12402216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-2-(2-furyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 1-benzyl-2-(2-furyl)-7,7-dimethy…

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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	12.33	-19.77	0	4	0	46	470.413	5	↓ MOL2 SDF SMILES Flexibase

12402217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-cyclohexylethyl)-1-(2-furylmethyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin- 2-(2-cyclohexylethyl)-1-(2-furyl…

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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)	7.00	14.34	-21.69	0	4	0	46	504.515	7	↓ MOL2 SDF SMILES Flexibase

12402218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-furylmethyl)-7,7-dimethyl-2-phenethyl-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 1-(2-furylmethyl)-7,7-dimethyl-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)	6.31	14.02	-18.67	0	4	0	46	498.467	7	↓ MOL2 SDF SMILES Flexibase

12402219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-furylmethyl)-7,7-dimethyl-2-(2-thienyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 1-(2-furylmethyl)-7,7-dimethyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	11.11	-21.62	0	4	0	46	476.442	5	↓ MOL2 SDF SMILES Flexibase

12402220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-7,7-dimethyl-2-(3-pyridyl)-4,4-bis(trifluoromethyl)-6,8-dihydroquinazolin-5-one 1-(4-fluorophenyl)-7,7-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.88	5.02	-19.03	0	4	0	46	485.403	4	↓ MOL2 SDF SMILES Flexibase

22706375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.31	13.33	-23.56	2	6	0	80	470.479	4	↓ MOL2 SDF SMILES Flexibase

22706378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.31	12.72	-24.27	2	6	0	80	470.479	4	↓ MOL2 SDF SMILES Flexibase

22706380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.31	12.07	-22.66	2	6	0	80	470.479	4	↓ MOL2 SDF SMILES Flexibase

22706383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazoli (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.31	12.66	-22.06	2	6	0	80	470.479	4	↓ MOL2 SDF SMILES Flexibase

22712499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-furyl)-4,6,7,8-tetrahydro-1H-quin (4S,7S)-2-(1,3-benzothiazol-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)	4.74	13.77	-20.99	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-furyl)-4,6,7,8-tetrahydro-1H-quin (4R,7S)-2-(1,3-benzothiazol-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)	4.74	13.78	-21.21	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-furyl)-4,6,7,8-tetrahydro-1H-quin (4S,7R)-2-(1,3-benzothiazol-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)	4.74	14.4	-20.81	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-furyl)-4,6,7,8-tetrahydro-1H-quin (4R,7R)-2-(1,3-benzothiazol-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)	4.74	14.37	-21.08	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quin (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	4.74	12.6	-23.06	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quin (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	4.74	12	-23.54	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quin (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	4.74	11.39	-17.34	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quin (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	4.74	11.33	-21.85	2	6	0	80	476.508	4	↓ MOL2 SDF SMILES Flexibase

22712660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinazol (4S)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.78	8.57	-28.78	2	9	0	107	476.533	6	↓ MOL2 SDF SMILES Flexibase

22712664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinazol (4R)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.78	9.22	-31.26	2	9	0	107	476.533	6	↓ MOL2 SDF SMILES Flexibase

22718202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-(1,3-benzothiazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-on (4R)-2-(1,3-benzothiazol-2-ylami…

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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)	5.57	13.51	-27.2	2	5	0	66	481.419	3	↓ MOL2 SDF SMILES Flexibase

22718206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzothiazol-2-ylamino)-4-(3-bromophenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin-5-on (4S)-2-(1,3-benzothiazol-2-ylami…

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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)	5.57	13.52	-27.25	2	5	0	66	481.419	3	↓ MOL2 SDF SMILES Flexibase

22741607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.76	14	-23.77	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.76	13.35	-22.01	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.76	14	-23.46	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(p-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.76	12.74	-22.63	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.74	12.73	-22.57	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.74	14	-23.47	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741631

Analogs

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Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.74	12.74	-22.56	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22741635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(m-tolyl)-4,6,7,8-tetrahydro-1H-quinaz (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.74	14.03	-23.73	2	6	0	80	484.506	4	↓ MOL2 SDF SMILES Flexibase

22744035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazo (4S,7S)-2-(1,3-benzothiazol-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)	5.95	16.1	-20.63	2	5	0	66	486.547	4	↓ MOL2 SDF SMILES Flexibase

22744039

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazo (4R,7S)-2-(1,3-benzothiazol-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)	5.95	15.48	-20.92	2	5	0	66	486.547	4	↓ MOL2 SDF SMILES Flexibase

22744043

Analogs

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Popular Name: (4S,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazo (4S,7R)-2-(1,3-benzothiazol-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)	5.95	15.5	-21.02	2	5	0	66	486.547	4	↓ MOL2 SDF SMILES Flexibase

22744047

Analogs

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Popular Name: (4R,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-phenyl-4,6,7,8-tetrahydro-1H-quinazo (4R,7R)-2-(1,3-benzothiazol-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)	5.95	16.09	-20.63	2	5	0	66	486.547	4	↓ MOL2 SDF SMILES Flexibase

22746260

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4R,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.47	12.78	-26.28	2	6	0	80	488.469	4	↓ MOL2 SDF SMILES Flexibase

22746264

Analogs

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Popular Name: (4R,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4R,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.47	12.74	-24.38	2	6	0	80	488.469	4	↓ MOL2 SDF SMILES Flexibase

22746268

Analogs

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Popular Name: (4S,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4S,7S)-2-(1,3-benzoxazol-2-ylam…

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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)	5.47	13.4	-25.72	2	6	0	80	488.469	4	↓ MOL2 SDF SMILES Flexibase

22746273

Analogs

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Popular Name: (4S,7R)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H (4S,7R)-2-(1,3-benzoxazol-2-ylam…

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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)	5.47	12.15	-24.81	2	6	0	80	488.469	4	↓ MOL2 SDF SMILES Flexibase

22750766

Analogs

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Popular Name: (4S,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-qu (4S,7S)-2-(1,3-benzothiazol-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)	5.38	14.81	-23.51	2	5	0	66	492.576	4	↓ MOL2 SDF SMILES Flexibase

22750770

Analogs

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Popular Name: (4R,7S)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-qu (4R,7S)-2-(1,3-benzothiazol-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)	5.38	15.35	-20.05	2	5	0	66	492.576	4	↓ MOL2 SDF SMILES Flexibase

22750774

Analogs

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Popular Name: (4S,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-qu (4S,7R)-2-(1,3-benzothiazol-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)	5.38	15.37	-19.95	2	5	0	66	492.576	4	↓ MOL2 SDF SMILES Flexibase

22750779

Analogs

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Popular Name: (4R,7R)-2-(1,3-benzothiazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-qu (4R,7R)-2-(1,3-benzothiazol-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)	5.38	15.35	-20.33	2	5	0	66	492.576	4	↓ MOL2 SDF SMILES Flexibase

66122946

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4R)-2-(1,3-benzoxazol-2-ylamino…

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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)	4.36	10.19	-19.25	2	6	0	80	426.398	4	↓ MOL2 SDF SMILES Flexibase

66122947

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinazolin-5-o (4S)-2-(1,3-benzoxazol-2-ylamino…

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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)	4.36	9.55	-21.47	2	6	0	80	426.398	4	↓ MOL2 SDF SMILES Flexibase

66123701

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.66	9.24	-18.49	2	6	0	80	376.391	3	↓ MOL2 SDF SMILES Flexibase

66123702

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.66	8.6	-19.43	2	6	0	80	376.391	3	↓ MOL2 SDF SMILES Flexibase

66124065

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(3-chloro-4-pyridyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.03	7.47	-19.06	2	7	0	92	393.834	3	↓ MOL2 SDF SMILES Flexibase

66124066

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(3-chloro-4-pyridyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.03	7.42	-23.45	2	7	0	92	393.834	3	↓ MOL2 SDF SMILES Flexibase

66128859

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4S)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.61	9.61	-22.74	2	6	0	80	378.457	3	↓ MOL2 SDF SMILES Flexibase

66128861

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(5-methyl-2-thienyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (4R)-2-(1,3-benzoxazol-2-ylamino…

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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)	3.61	9.61	-23.35	2	6	0	80	378.457	3	↓ MOL2 SDF SMILES Flexibase

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