ZINC 12

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ZINC Item

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53362834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-methoxyp…

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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)	5.24	8.46	-7.38	2	4	0	54	451.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	9.22	-41.24	1	4	-1	57	450.356	4	↓ MOL2 SDF SMILES Flexibase

53362836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-methoxyp…

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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)	5.24	8.35	-7.6	2	4	0	54	451.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	9.1	-41.95	1	4	-1	57	450.356	4	↓ MOL2 SDF SMILES Flexibase

53362837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-methoxyp…

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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)	5.24	8.23	-6.34	2	4	0	54	451.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	8.99	-42.13	1	4	-1	57	450.356	4	↓ MOL2 SDF SMILES Flexibase

53362839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-methoxyp…

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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)	5.24	8.51	-7.74	2	4	0	54	451.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	9.25	-40.45	1	4	-1	57	450.356	4	↓ MOL2 SDF SMILES Flexibase

53362841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2S,4R)-2-(4-chlorophenyl)-6-…

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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	9.93	-7.46	2	4	0	54	420.94	5	↓ MOL2 SDF SMILES Flexibase

53362843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2S,4S)-2-(4-chlorophenyl)-6-…

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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	9.7	-6.74	2	4	0	54	420.94	5	↓ MOL2 SDF SMILES Flexibase

53362845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2R,4R)-2-(4-chlorophenyl)-6-…

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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	9.82	-7.63	2	4	0	54	420.94	5	↓ MOL2 SDF SMILES Flexibase

53362847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxy-phenol 2-[(2R,4S)-2-(4-chlorophenyl)-6-…

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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	9.96	-7.25	2	4	0	54	420.94	5	↓ MOL2 SDF SMILES Flexibase

53362848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4R)-2-(4-chlorop…

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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)	5.73	9.57	-5.91	2	3	0	45	411.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.73	10.33	-38.48	1	3	-1	47	410.324	3	↓ MOL2 SDF SMILES Flexibase

53362849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4S)-2-(4-chlorop…

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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)	5.73	9.46	-5.91	2	3	0	45	411.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.73	10.21	-38.69	1	3	-1	47	410.324	3	↓ MOL2 SDF SMILES Flexibase

53362851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4R)-2-(4-chlorop…

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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)	5.73	9.34	-5.13	2	3	0	45	411.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.73	10.1	-38.74	1	3	-1	47	410.324	3	↓ MOL2 SDF SMILES Flexibase

53362853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4S)-2-(4-chlorop…

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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)	5.73	9.6	-6.21	2	3	0	45	411.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.73	10.35	-37.76	1	3	-1	47	410.324	3	↓ MOL2 SDF SMILES Flexibase

53362855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-chloroph…

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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)	5.86	9.68	-5.87	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.43	-38.4	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-chloroph…

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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)	5.86	9.56	-5.86	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.31	-38.55	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-chloroph…

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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)	5.86	9.44	-5.11	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.2	-38.64	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-chlorophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-chloroph…

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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)	5.86	9.71	-6.15	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.45	-37.74	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4R)-2-(4-bromophenyl)-6-(…

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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)	5.86	9.68	-5.89	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.43	-38.42	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4S)-2-(4-bromophenyl)-6-(…

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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)	5.86	9.57	-5.93	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.31	-38.65	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4R)-2-(4-bromophenyl)-6-(…

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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)	5.86	9.44	-5.1	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.2	-38.74	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4S)-2-(4-bromophenyl)-6-(…

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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)	5.86	9.71	-6.15	2	3	0	45	455.783	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	10.45	-37.74	1	3	-1	47	454.775	3	↓ MOL2 SDF SMILES Flexibase

53362869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4R)-2-(4-bromophe…

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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)	5.99	9.78	-5.86	2	3	0	45	500.234	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	10.54	-38.3	1	3	-1	47	499.226	3	↓ MOL2 SDF SMILES Flexibase

53362871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2S,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2S,4S)-2-(4-bromophe…

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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)	5.99	9.67	-5.82	2	3	0	45	500.234	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	10.42	-38.53	1	3	-1	47	499.226	3	↓ MOL2 SDF SMILES Flexibase

53362873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4R)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4R)-2-(4-bromophe…

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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)	5.99	9.55	-5.07	2	3	0	45	500.234	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	10.31	-38.62	1	3	-1	47	499.226	3	↓ MOL2 SDF SMILES Flexibase

53362875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[(2R,4S)-2-(4-bromophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-bromo-2-[(2R,4S)-2-(4-bromophe…

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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)	5.99	9.81	-6.17	2	3	0	45	500.234	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.99	10.56	-37.63	1	3	-1	47	499.226	3	↓ MOL2 SDF SMILES Flexibase

53362877

Analogs

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Popular Name: 2-ethoxy-6-[(2S,4R)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4R)-2-(2-methoxy…

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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	9.28	-9.64	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4S)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4S)-2-(2-methoxy…

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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	8.97	-8.68	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4R)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4R)-2-(2-methoxy…

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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	9.09	-9.13	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362882

Analogs

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Popular Name: 2-ethoxy-6-[(2R,4S)-2-(2-methoxyphenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4S)-2-(2-methoxy…

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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	9.33	-9.25	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362884

Analogs

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Popular Name: 2-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4R)-6-(4-methoxyphenyl)-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)	4.46	7.83	-7.11	2	4	0	54	372.468	4	↓ MOL2 SDF SMILES Flexibase

53362886

Analogs

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Popular Name: 2-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4R)-6-(4-methoxyphenyl)-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)	4.46	7.6	-6.59	2	4	0	54	372.468	4	↓ MOL2 SDF SMILES Flexibase

53362887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4S)-6-(4-methoxyphenyl)-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)	4.46	7.73	-7.63	2	4	0	54	372.468	4	↓ MOL2 SDF SMILES Flexibase

53362889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4S)-6-(4-methoxyphenyl)-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)	4.46	7.86	-7.65	2	4	0	54	372.468	4	↓ MOL2 SDF SMILES Flexibase

53362891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4R)-6-(4-methoxy…

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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)	4.43	8.71	-8.91	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2S,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2S,4S)-6-(4-methoxy…

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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)	4.43	8.48	-7.96	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4R)-6-(4-methoxy…

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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)	4.43	8.6	-9.17	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[(2R,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-ethoxy-6-[(2R,4S)-6-(4-methoxy…

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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)	4.43	8.74	-8.39	2	5	0	63	416.521	6	↓ MOL2 SDF SMILES Flexibase

53362898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4R)-6-(4-methoxy…

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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	8.36	-7.18	2	4	0	54	406.913	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.11	9.11	-41.02	1	4	-1	57	405.905	4	↓ MOL2 SDF SMILES Flexibase

53362900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4R)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4R)-6-(4-methoxy…

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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	8.13	-6.47	2	4	0	54	406.913	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.11	8.89	-41.31	1	4	-1	57	405.905	4	↓ MOL2 SDF SMILES Flexibase

53362903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2S,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2S,4S)-6-(4-methoxy…

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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	8.24	-7.5	2	4	0	54	406.913	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.11	9	-41.27	1	4	-1	57	405.905	4	↓ MOL2 SDF SMILES Flexibase

53362906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2R,4S)-6-(4-methoxyphenyl)-2-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 4-chloro-2-[(2R,4S)-6-(4-methoxy…

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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	8.38	-7.72	2	4	0	54	406.913	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.11	9.13	-40.29	1	4	-1	57	405.905	4	↓ MOL2 SDF SMILES Flexibase

53362908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4R)-2,6-bis(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4R)-2,6-bis(4-methoxyphen…

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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)	4.72	6.98	-8.27	2	5	0	63	422.912	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.72	7.74	-41.38	1	5	-1	66	421.904	5	↓ MOL2 SDF SMILES Flexibase

53362911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R,4R)-2,6-bis(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4R)-2,6-bis(4-methoxyphen…

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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)	4.72	6.76	-7.21	2	5	0	63	422.912	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.72	7.51	-42.37	1	5	-1	66	421.904	5	↓ MOL2 SDF SMILES Flexibase

53362913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2,6-bis(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2S,4S)-2,6-bis(4-methoxyphen…

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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)	4.72	6.86	-8.61	2	5	0	63	422.912	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.72	7.62	-42.3	1	5	-1	66	421.904	5	↓ MOL2 SDF SMILES Flexibase

53362914

Analogs

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Popular Name: 2-[(2R,4S)-2,6-bis(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-4-chloro-phenol 2-[(2R,4S)-2,6-bis(4-methoxyphen…

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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)	4.72	7	-8.72	2	5	0	63	422.912	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.72	7.75	-40.62	1	5	-1	66	421.904	5	↓ MOL2 SDF SMILES Flexibase

53362916

Analogs

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Popular Name: 2-[(2S,4R)-2-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4R)-2-(3,4-dimethoxypheny…

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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)	3.65	6.37	-10.81	2	6	0	72	418.493	6	↓ MOL2 SDF SMILES Flexibase

53362918

Analogs

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Popular Name: 2-[(2S,4S)-2-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4S)-2-(3,4-dimethoxypheny…

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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)	3.65	6.28	-10.96	2	6	0	72	418.493	6	↓ MOL2 SDF SMILES Flexibase

53362920

Analogs

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Popular Name: 2-[(2R,4R)-2-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4R)-2-(3,4-dimethoxypheny…

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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)	3.65	6.14	-10.18	2	6	0	72	418.493	6	↓ MOL2 SDF SMILES Flexibase

53362922

Analogs

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Popular Name: 2-[(2R,4S)-2-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2R,4S)-2-(3,4-dimethoxypheny…

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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)	3.65	6.41	-11.05	2	6	0	72	418.493	6	↓ MOL2 SDF SMILES Flexibase

53362924

Analogs

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Popular Name: 2-[(2S,4R)-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4R)-2-(4-chlorophenyl)-6-…

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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)	4.68	7.68	-6.67	2	4	0	54	392.886	4	↓ MOL2 SDF SMILES Flexibase

53362926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,4S)-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol 2-[(2S,4S)-2-(4-chlorophenyl)-6-…

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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)	4.68	7.57	-7.04	2	4	0	54	392.886	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 51468
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 51468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=51468&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "51468"        

    });
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