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ZINC Item

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60021659

Analogs

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Popular Name: (2S)-1-[2-(4-isobutoxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-isobutoxy-4-phenyl-…

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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)	5.81	16.06	-60.93	2	5	1	46	484.664	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.81	13.84	-11.57	1	5	0	45	483.656	8	↓ MOL2 SDF SMILES Flexibase

60021660

Analogs

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Popular Name: (2R)-1-[2-(4-isobutoxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-isobutoxy-4-phenyl-…

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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)	5.81	14.67	-61.54	2	5	1	46	484.664	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.81	12.47	-10.76	1	5	0	45	483.656	8	↓ MOL2 SDF SMILES Flexibase

60021735

Analogs

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Popular Name: (2S)-6-methoxy-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-methoxy-2-phenyl-1-[2-(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)	5.60	14.68	-65.78	2	6	1	55	500.663	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.60	12.43	-13.5	1	6	0	54	499.655	9	↓ MOL2 SDF SMILES Flexibase

60021736

Analogs

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Popular Name: (2R)-6-methoxy-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-methoxy-2-phenyl-1-[2-(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)	5.60	13.29	-65.22	2	6	1	55	500.663	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.60	11.06	-13.15	1	6	0	54	499.655	9	↓ MOL2 SDF SMILES Flexibase

60021840

Analogs

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Popular Name: [1-[(2S)-2-[(2S)-4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl]propyl]-4-phenyl-4-piperidyl] [1-[(2S)-2-[(2S)-4-oxo-2-phenyl-…

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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	15.22	-60.96	2	6	1	63	484.62	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.10	13.41	-14.11	1	6	0	62	483.612	7	↓ MOL2 SDF SMILES Flexibase

60021841

Analogs

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Popular Name: [1-[(2R)-2-[(2S)-4-oxo-2-phenyl-2,3-dihydroquinazolin-1-yl]propyl]-4-phenyl-4-piperidyl] [1-[(2R)-2-[(2S)-4-oxo-2-phenyl-…

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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	15.29	-65.22	2	6	1	63	484.62	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.10	13.33	-14.14	1	6	0	62	483.612	7	↓ MOL2 SDF SMILES Flexibase

60021883

Analogs

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Popular Name: (2S)-2-(4-aminophenyl)-1-[(1R)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazol (2S)-2-(4-aminophenyl)-1-[(1R)-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	13.27	-60.2	4	6	1	72	499.679	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.97	11.4	-10.76	3	6	0	71	498.671	8	↓ MOL2 SDF SMILES Flexibase

60021885

Analogs

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Popular Name: (2S)-2-(4-aminophenyl)-1-[(1S)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazol (2S)-2-(4-aminophenyl)-1-[(1S)-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	13.63	-48.27	4	6	1	72	499.679	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.97	11.17	-11.13	3	6	0	71	498.671	8	↓ MOL2 SDF SMILES Flexibase

60021900

Analogs

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Popular Name: (2S)-2-(4-aminophenyl)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-aminophenyl)-1-[2-(4-h…

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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)	3.15	9.62	-59.51	5	6	1	83	443.571	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	7.38	-12.79	4	6	0	82	442.563	5	↓ MOL2 SDF SMILES Flexibase

60021901

Analogs

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Popular Name: (2R)-2-(4-aminophenyl)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-aminophenyl)-1-[2-(4-h…

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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)	3.15	8.25	-60.06	5	6	1	83	443.571	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	6.02	-12.34	4	6	0	82	442.563	5	↓ MOL2 SDF SMILES Flexibase

60021981

Analogs

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Popular Name: (2R)-2-(4-methoxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-methoxyphenyl)-1-[2-(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)	5.17	12.7	-64.11	2	5	1	46	442.583	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.17	10.46	-12.58	1	5	0	45	441.575	6	↓ MOL2 SDF SMILES Flexibase

60021982

Analogs

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Popular Name: (2S)-2-(4-methoxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-methoxyphenyl)-1-[2-(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)	5.17	14.03	-61.72	2	5	1	46	442.583	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.17	11.79	-11.9	1	5	0	45	441.575	6	↓ MOL2 SDF SMILES Flexibase

60022003

Analogs

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Popular Name: (2S)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-6-methoxy-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-hydroxy-4-phenyl-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)	4.10	9.66	-65.1	3	6	1	66	458.582	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.10	7.44	-14.04	2	6	0	65	457.574	6	↓ MOL2 SDF SMILES Flexibase

60022005

Analogs

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Popular Name: (2R)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-6-methoxy-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-hydroxy-4-phenyl-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)	4.10	10.99	-64.38	3	6	1	66	458.582	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.10	8.78	-14.86	2	6	0	65	457.574	6	↓ MOL2 SDF SMILES Flexibase

60022084

Analogs

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Popular Name: [1-[2-[(2S)-2-(4-aminophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]ethyl]-4-phenyl-4-piperidyl] [1-[2-[(2S)-2-(4-aminophenyl)-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)	3.85	13.14	-63.35	4	7	1	89	485.608	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.85	10.92	-14.91	3	7	0	88	484.6	7	↓ MOL2 SDF SMILES Flexibase

60022085

Analogs

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Popular Name: [1-[2-[(2R)-2-(4-aminophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]ethyl]-4-phenyl-4-piperidyl] [1-[2-[(2R)-2-(4-aminophenyl)-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)	3.85	11.76	-65.42	4	7	1	89	485.608	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.85	9.51	-15.13	3	7	0	88	484.6	7	↓ MOL2 SDF SMILES Flexibase

60022099

Analogs

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Popular Name: (2S)-6-methoxy-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-methoxy-2-phenyl-1-[2-(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)	5.15	12.69	-65.54	2	5	1	46	442.583	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.15	10.44	-12.64	1	5	0	45	441.575	6	↓ MOL2 SDF SMILES Flexibase

60022100

Analogs

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Popular Name: (2R)-6-methoxy-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-methoxy-2-phenyl-1-[2-(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)	5.15	14.02	-64.29	2	5	1	46	442.583	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.15	11.78	-13.27	1	5	0	45	441.575	6	↓ MOL2 SDF SMILES Flexibase

60022108

Analogs

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Popular Name: (2S)-6-amino-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-phenyl-1-[2-(4-ph…

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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)	4.62	13.24	-61.12	4	6	1	72	485.652	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	11.01	-11.67	3	6	0	71	484.644	8	↓ MOL2 SDF SMILES Flexibase

60022109

Analogs

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Popular Name: (2R)-6-amino-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-2-phenyl-1-[2-(4-ph…

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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)	4.62	11.86	-60.55	4	6	1	72	485.652	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	9.64	-11.55	3	6	0	71	484.644	8	↓ MOL2 SDF SMILES Flexibase

60022138

Analogs

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Popular Name: (2S)-2-(4-aminophenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-aminophenyl)-1-[2-(4-p…

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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)	4.19	12.64	-59.61	4	5	1	63	427.572	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	10.4	-11.25	3	5	0	62	426.564	5	↓ MOL2 SDF SMILES Flexibase

60022139

Analogs

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Popular Name: (2R)-2-(4-aminophenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-aminophenyl)-1-[2-(4-p…

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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)	4.19	11.28	-61.01	4	5	1	63	427.572	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.19	9.03	-11.24	3	5	0	62	426.564	5	↓ MOL2 SDF SMILES Flexibase

60022155

Analogs

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Popular Name: (2S)-6-hydroxy-1-[(1R)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazo (2S)-6-hydroxy-1-[(1R)-1-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)	5.39	12.54	-64.07	3	6	1	66	500.663	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.39	10.65	-11.92	2	6	0	65	499.655	8	↓ MOL2 SDF SMILES Flexibase

60022156

Analogs

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Popular Name: (2S)-6-hydroxy-1-[(1S)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazo (2S)-6-hydroxy-1-[(1S)-1-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)	5.39	12.41	-61.29	3	6	1	66	500.663	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.39	10.51	-12.67	2	6	0	65	499.655	8	↓ MOL2 SDF SMILES Flexibase

60022209

Analogs

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Popular Name: (2S)-2-(4-aminophenyl)-1-[2-(4-butoxy-4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-aminophenyl)-1-[2-(4-b…

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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	14.05	-61.28	4	6	1	72	499.679	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	11.82	-11.65	3	6	0	71	498.671	9	↓ MOL2 SDF SMILES Flexibase

60022210

Analogs

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Popular Name: (2R)-2-(4-aminophenyl)-1-[2-(4-butoxy-4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-aminophenyl)-1-[2-(4-b…

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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	12.63	-61.31	4	6	1	72	499.679	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.20	10.38	-11.33	3	6	0	71	498.671	9	↓ MOL2 SDF SMILES Flexibase

60022220

Analogs

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Popular Name: (2S)-6-hydroxy-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-hydroxy-2-phenyl-1-[2-(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)	4.61	11.88	-63.21	3	5	1	57	428.556	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.61	9.63	-12.69	2	5	0	56	427.548	5	↓ MOL2 SDF SMILES Flexibase

60022221

Analogs

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Popular Name: (2R)-6-hydroxy-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-hydroxy-2-phenyl-1-[2-(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)	4.61	10.54	-64.83	3	5	1	57	428.556	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.61	8.3	-12.56	2	5	0	56	427.548	5	↓ MOL2 SDF SMILES Flexibase

60022311

Analogs

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Popular Name: (2S)-6-methoxy-1-[(1R)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazo (2S)-6-methoxy-1-[(1R)-1-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)	5.93	14.69	-64.52	2	6	1	55	514.69	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.93	12.8	-12.32	1	6	0	54	513.682	9	↓ MOL2 SDF SMILES Flexibase

60022312

Analogs

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Popular Name: (2S)-6-methoxy-1-[(1S)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazo (2S)-6-methoxy-1-[(1S)-1-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)	5.93	14.55	-61.36	2	6	1	55	514.69	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.93	12.66	-13.23	1	6	0	54	513.682	9	↓ MOL2 SDF SMILES Flexibase

60022324

Analogs

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Popular Name: (2S)-1-[(1S)-1-methyl-2-(4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1S)-1-methyl-2-(4-pheny…

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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)	5.45	15.11	-50.71	2	4	1	37	426.584	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.45	12.77	-11.41	1	4	0	36	425.576	5	↓ MOL2 SDF SMILES Flexibase

60022325

Analogs

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Popular Name: (2S)-1-[(1R)-1-methyl-2-(4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-(4-pheny…

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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)	5.45	14.76	-60.62	2	4	1	37	426.584	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.45	12.75	-9.96	1	4	0	36	425.576	5	↓ MOL2 SDF SMILES Flexibase

60022368

Analogs

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Popular Name: (2S)-1-[2-(4-butoxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-butoxy-4-phenyl-1-p…

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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)	6.12	16.16	-61.39	2	5	1	46	484.664	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.12	13.92	-10.96	1	5	0	45	483.656	9	↓ MOL2 SDF SMILES Flexibase

60022369

Analogs

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Popular Name: (2R)-1-[2-(4-butoxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-butoxy-4-phenyl-1-p…

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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)	6.12	14.77	-61.36	2	5	1	46	484.664	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.12	12.52	-10.66	1	5	0	45	483.656	9	↓ MOL2 SDF SMILES Flexibase

60022385

Analogs

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Popular Name: (2R)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-(4-methoxyphenyl)-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-hydroxy-4-phenyl-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)	4.12	9.67	-63.03	3	6	1	66	458.582	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.12	7.45	-13.48	2	6	0	65	457.574	6	↓ MOL2 SDF SMILES Flexibase

60022386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-(4-methoxyphenyl)-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-hydroxy-4-phenyl-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)	4.12	11.01	-61.4	3	6	1	66	458.582	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.12	8.78	-13.32	2	6	0	65	457.574	6	↓ MOL2 SDF SMILES Flexibase

60022475

Analogs

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Popular Name: (2S)-1-[(1R)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1R)-1-methyl-2-(4-pheny…

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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	15.39	-60.31	2	5	1	46	484.664	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.89	13.52	-10.19	1	5	0	45	483.656	8	↓ MOL2 SDF SMILES Flexibase

60022476

Analogs

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Popular Name: (2S)-1-[(1S)-1-methyl-2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-1-[(1S)-1-methyl-2-(4-pheny…

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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	15.27	-57.35	2	5	1	46	484.664	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.89	13.38	-10.88	1	5	0	45	483.656	8	↓ MOL2 SDF SMILES Flexibase

60022567

Analogs

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Popular Name: (2R)-6-amino-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-6-amino-1-[2-(4-hydroxy-4-p…

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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)	3.12	8.24	-59.74	5	6	1	83	443.571	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.12	6.02	-12.15	4	6	0	82	442.563	5	↓ MOL2 SDF SMILES Flexibase

60022568

Analogs

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Popular Name: (2S)-6-amino-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-amino-1-[2-(4-hydroxy-4-p…

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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)	3.12	9.58	-59.44	5	6	1	83	443.571	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.12	7.35	-12.73	4	6	0	82	442.563	5	↓ MOL2 SDF SMILES Flexibase

60022589

Analogs

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Popular Name: (2R)-6-amino-2-(4-methoxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-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)	4.22	10.56	-63.87	4	6	1	72	457.598	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.22	8.33	-13.02	3	6	0	71	456.59	6	↓ MOL2 SDF SMILES Flexibase

60022590

Analogs

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Popular Name: (2S)-6-amino-2-(4-methoxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-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)	4.22	11.9	-61.51	4	6	1	72	457.598	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.22	9.65	-12.56	3	6	0	71	456.59	6	↓ MOL2 SDF SMILES Flexibase

60022611

Analogs

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Popular Name: (2S)-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-phenyl-1-[2-(4-phenyl-4-p…

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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	15.37	-61.7	2	5	1	46	470.637	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.56	13.13	-11.86	1	5	0	45	469.629	8	↓ MOL2 SDF SMILES Flexibase

60022613

Analogs

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Popular Name: (2R)-2-phenyl-1-[2-(4-phenyl-4-propoxy-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-phenyl-1-[2-(4-phenyl-4-p…

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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	13.99	-60.87	2	5	1	46	470.637	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.56	11.77	-11.09	1	5	0	45	469.629	8	↓ MOL2 SDF SMILES Flexibase

60022635

Analogs

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Popular Name: (2S)-2-(4-hydroxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-2-(4-hydroxyphenyl)-1-[2-(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)	4.64	11.91	-62.35	3	5	1	57	428.556	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	9.67	-12.14	2	5	0	56	427.548	5	↓ MOL2 SDF SMILES Flexibase

60022638

Analogs

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Popular Name: (2R)-2-(4-hydroxyphenyl)-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-2-(4-hydroxyphenyl)-1-[2-(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)	4.64	10.55	-65.44	3	5	1	57	428.556	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	8.3	-12.72	2	5	0	56	427.548	5	↓ MOL2 SDF SMILES Flexibase

60022662

Analogs

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Popular Name: (2S)-6-amino-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2S)-6-amino-2-phenyl-1-[2-(4-ph…

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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)	4.17	12.6	-59.66	4	5	1	63	427.572	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.17	10.35	-11.27	3	5	0	62	426.564	5	↓ MOL2 SDF SMILES Flexibase

60022663

Analogs

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Popular Name: (2R)-6-amino-2-phenyl-1-[2-(4-phenyl-1-piperidyl)ethyl]-2,3-dihydroquinazolin-4-one (2R)-6-amino-2-phenyl-1-[2-(4-ph…

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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)	4.17	11.26	-60.52	4	5	1	63	427.572	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.17	9.03	-11.05	3	5	0	62	426.564	5	↓ MOL2 SDF SMILES Flexibase

60022681

Analogs

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Popular Name: (2R)-6-hydroxy-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2R)-6-hydroxy-1-[2-(4-hydroxy-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)	3.57	7.51	-63.91	4	6	1	77	444.555	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.57	5.3	-13.57	3	6	0	76	443.547	5	↓ MOL2 SDF SMILES Flexibase

60022682

Analogs

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Popular Name: (2S)-6-hydroxy-1-[2-(4-hydroxy-4-phenyl-1-piperidyl)ethyl]-2-phenyl-2,3-dihydroquinazolin-4-one (2S)-6-hydroxy-1-[2-(4-hydroxy-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)	3.57	8.85	-62.96	4	6	1	77	444.555	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.57	6.63	-14.14	3	6	0	76	443.547	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 197358
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 = 197358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=197358&filter.purchasability=annotated

Embed Link to Results

<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": "197358"        

    });
</script>

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