ZINC 12

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ZINC Item

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13263698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2R)-2-methyl-4-oxo-3-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	11.89	-56.38	1	6	-1	82	415.469	7	↓ MOL2 SDF SMILES Flexibase

13263699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2S)-2-methyl-4-oxo-3-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	11.88	-56.05	1	6	-1	82	415.469	7	↓ MOL2 SDF SMILES Flexibase

13263700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2S)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-2-methyl-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)	3.29	11.66	-61.48	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2R)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-2-methyl-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)	3.29	11.7	-61.52	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2R)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-2-methyl-4-oxo-3-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	11.36	-67.97	1	6	-1	82	415.469	7	↓ MOL2 SDF SMILES Flexibase

13263703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2S)-2-methyl-4-oxo-3-phenethyl-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-2-methyl-4-oxo-3-phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	11.38	-50.56	1	6	-1	82	415.469	7	↓ MOL2 SDF SMILES Flexibase

13263704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2R)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-4-oxo-3-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	11.73	-61.39	1	7	-1	91	431.468	8	↓ MOL2 SDF SMILES Flexibase

13263705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-4-oxo-3-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	11.7	-61.24	1	7	-1	91	431.468	8	↓ MOL2 SDF SMILES Flexibase

13263760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2R)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2R)-3-[2-(4-methoxyphenyl…

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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)	3.75	11.25	-57.64	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[4-[(2S)-3-[2-(4-methoxyphenyl…

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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)	3.75	11.26	-57.67	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2R)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-3-[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)	3.34	11.01	-61.79	1	8	-1	100	475.521	9	↓ MOL2 SDF SMILES Flexibase

13263763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-3-[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)	3.34	10.96	-62.6	1	8	-1	100	475.521	9	↓ MOL2 SDF SMILES Flexibase

13263764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2R)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2R)-3-[2-(4-methoxyphenyl…

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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)	3.73	10.7	-68.56	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-oxo-1H-quinazolin-2-yl]phenoxy]acetic 2-[3-[(2S)-3-[2-(4-methoxyphenyl…

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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)	3.73	11.18	-53.46	1	7	-1	91	445.495	8	↓ MOL2 SDF SMILES Flexibase

13263766

Analogs

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Popular Name: 2-[2-methoxy-4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2S)-3-[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)	2.90	11	-62.54	1	8	-1	100	461.494	9	↓ MOL2 SDF SMILES Flexibase

13263767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(2R)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic 2-[2-methoxy-4-[(2R)-3-[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)	2.90	11.03	-62.98	1	8	-1	100	461.494	9	↓ MOL2 SDF SMILES Flexibase

66128566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	12.72	-12.18	1	3	0	32	356.469	4	↓ MOL2 SDF SMILES Flexibase

66128568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	12.63	-12.09	1	3	0	32	356.469	4	↓ MOL2 SDF SMILES Flexibase

66128650

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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)	4.90	12.58	-11.53	1	3	0	32	356.469	5	↓ MOL2 SDF SMILES Flexibase

66128652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2-ethyl-2,3-dihydro-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-ethyl-2,3…

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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)	4.90	12.45	-11.62	1	3	0	32	356.469	5	↓ MOL2 SDF SMILES Flexibase

66128722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(3-nitrophenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.33	12.67	-13.73	1	6	0	78	387.439	5	↓ MOL2 SDF SMILES Flexibase

66128724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(3-nitrophenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.33	12.75	-13.46	1	6	0	78	387.439	5	↓ MOL2 SDF SMILES Flexibase

66128766

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-butyl-2,3-dihydro-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-butyl-2,3…

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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)	5.96	14.11	-11.12	1	3	0	32	384.523	7	↓ MOL2 SDF SMILES Flexibase

66128768

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-butyl-2,3-dihydro-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-butyl-2,3…

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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)	5.96	14.01	-11.26	1	3	0	32	384.523	7	↓ MOL2 SDF SMILES Flexibase

66128886

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-bromophenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-bromop…

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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)	5.20	12.58	-12.15	1	3	0	32	421.338	4	↓ MOL2 SDF SMILES Flexibase

66128888

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-bromophenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-bromop…

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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)	5.20	12.67	-12.23	1	3	0	32	421.338	4	↓ MOL2 SDF SMILES Flexibase

66128923

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.39	11.95	-12.02	1	3	0	32	342.442	4	↓ MOL2 SDF SMILES Flexibase

66128925

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.39	12.05	-12.16	1	3	0	32	342.442	4	↓ MOL2 SDF SMILES Flexibase

66128993

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-phenyl-3-(2-phenylethyl)-2-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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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	13.34	-11.23	1	3	0	32	370.496	6	↓ MOL2 SDF SMILES Flexibase

66128994

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-phenyl-3-(2-phenylethyl)-2-propyl- 4(1H)-quinazolinone, 2,3-dihydro…

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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	13.22	-11.33	1	3	0	32	370.496	6	↓ MOL2 SDF SMILES Flexibase

66129067

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-nitrophenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	12.67	-16.1	1	6	0	78	387.439	5	↓ MOL2 SDF SMILES Flexibase

66129069

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-(4-nitrophenyl)-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	12.76	-16.26	1	6	0	78	387.439	5	↓ MOL2 SDF SMILES Flexibase

66129144

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxyphenyl)-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.45	11.25	-13.82	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66129145

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxyphenyl)-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	4.45	11.35	-13.9	1	4	0	42	372.468	5	↓ MOL2 SDF SMILES Flexibase

66129233

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-chlorophenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-chloro…

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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)	5.07	12.47	-12.17	1	3	0	32	376.887	4	↓ MOL2 SDF SMILES Flexibase

66129234

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-chlorophenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-chloro…

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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)	5.07	12.57	-12.31	1	3	0	32	376.887	4	↓ MOL2 SDF SMILES Flexibase

66129439

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(2,4-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)	4.44	11.04	-11.71	1	5	0	51	402.494	6	↓ MOL2 SDF SMILES Flexibase

66129441

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(2,4-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)	4.44	10.66	-11.25	1	5	0	51	402.494	6	↓ MOL2 SDF SMILES Flexibase

66129480

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-pentyl-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	6.47	14.89	-11.19	1	3	0	32	398.55	8	↓ MOL2 SDF SMILES Flexibase

66129482

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-pentyl-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	6.47	14.78	-11.22	1	3	0	32	398.55	8	↓ MOL2 SDF SMILES Flexibase

66129525

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-methylethyl)-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	5.14	13.07	-9.65	1	3	0	32	370.496	5	↓ MOL2 SDF SMILES Flexibase

66129526

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-(1-methylethyl)-2-phenyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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)	5.14	12.32	-11.58	1	3	0	32	370.496	5	↓ MOL2 SDF SMILES Flexibase

66129601

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-ethoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-ethoxy…

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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)	4.83	12.24	-13.01	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66129602

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-ethoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-ethoxy…

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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)	4.83	12.18	-13.64	1	4	0	42	386.495	6	↓ MOL2 SDF SMILES Flexibase

66129632

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(2-phenylethyl)-2-(4-propoxyphenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	13.04	-12.75	1	4	0	42	400.522	7	↓ MOL2 SDF SMILES Flexibase

66129634

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-3-(2-phenylethyl)-2-(4-propoxyphenyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	12.98	-13.43	1	4	0	42	400.522	7	↓ MOL2 SDF SMILES Flexibase

66129666

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-butoxy…

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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)	5.89	13.83	-12.67	1	4	0	42	414.549	8	↓ MOL2 SDF SMILES Flexibase

66129668

Analogs

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Popular Name: 4(1H)-quinazolinone, 2-(4-butoxyphenyl)-2,3-dihydro-2-methyl-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2-(4-butoxy…

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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)	5.89	13.77	-13.34	1	4	0	42	414.549	8	↓ MOL2 SDF SMILES Flexibase

66129693

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-(pentyloxy)phenyl]-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	14.62	-12.66	1	4	0	42	428.576	9	↓ MOL2 SDF SMILES Flexibase

66129694

Analogs

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Popular Name: 4(1H)-quinazolinone, 2,3-dihydro-2-methyl-2-[4-(pentyloxy)phenyl]-3-(2-phenylethyl)- 4(1H)-quinazolinone, 2,3-dihydro…

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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	14.55	-13.32	1	4	0	42	428.576	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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