ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	5.79	-34.68	3	9	0	124	421.457	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	4.67	-70.15	2	9	-1	127	420.449	6	↓ MOL2 SDF SMILES Flexibase

23038390

Analogs

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Popular Name: 2,5-dichloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2,5-dichloro-N-ethyl-N-[(4-oxo-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)	3.12	9.26	-14.29	1	5	0	66	376.243	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.57	6.56	-50.58	0	5	-1	69	375.235	4	↓ MOL2 SDF SMILES Flexibase

23039865

Analogs

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Popular Name: N-ethyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide N-ethyl-2-nitro-N-[(4-oxo-3H-qui…

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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)	1.74	9.76	-22.94	1	8	0	112	352.35	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	7.04	-58.86	0	8	-1	115	351.342	5	↓ MOL2 SDF SMILES Flexibase

23039866

Analogs

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Popular Name: N-ethyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide N-ethyl-2-methoxy-N-[(4-oxo-3H-q…

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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)	2.39	7.66	-17.7	1	6	0	75	337.379	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.85	4.94	-56.01	0	6	-1	78	336.371	5	↓ MOL2 SDF SMILES Flexibase

23039867

Analogs

39676192
39676193

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Popular Name: N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(trifluoromethyl)benzamide N-ethyl-N-[(4-oxo-3H-quinazolin-…

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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)	2.68	9.51	-21.03	1	5	0	66	375.35	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.14	8.41	-55.07	0	5	-1	69	374.342	5	↓ MOL2 SDF SMILES Flexibase

23039871

Analogs

8707726

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Popular Name: 2,3-dichloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2,3-dichloro-N-ethyl-N-[(4-oxo-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)	3.09	9.21	-16.88	1	5	0	66	376.243	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.55	6.51	-50.67	0	5	-1	69	375.235	4	↓ MOL2 SDF SMILES Flexibase

23039874

Analogs

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Popular Name: 2-chloro-N-ethyl-4,5-difluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2-chloro-N-ethyl-4,5-difluoro-N-…

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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)	2.69	8.87	-13.86	1	5	0	66	377.778	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	6.16	-47.41	0	5	-1	69	376.77	4	↓ MOL2 SDF SMILES Flexibase

23039879

Analogs

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Popular Name: N-ethyl-3-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide N-ethyl-3-methyl-2-nitro-N-[(4-o…

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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)	2.14	9.88	-23.52	1	8	0	112	366.377	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.60	7.17	-58.59	0	8	-1	115	365.369	5	↓ MOL2 SDF SMILES Flexibase

23039882

Analogs

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Popular Name: 5-chloro-N-ethyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 5-chloro-N-ethyl-2-methoxy-N-[(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)	3.04	8.18	-16.25	1	6	0	75	371.824	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	5.46	-54.67	0	6	-1	78	370.816	5	↓ MOL2 SDF SMILES Flexibase

23039890

Analogs

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Popular Name: 2-bromo-N-ethyl-5-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2-bromo-N-ethyl-5-methoxy-N-[(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)	2.63	8.51	-17.54	1	6	0	75	416.275	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.08	7.4	-50.23	0	6	-1	78	415.267	5	↓ MOL2 SDF SMILES Flexibase

23039904

Analogs

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Popular Name: 2,4-dichloro-N-ethyl-5-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2,4-dichloro-N-ethyl-5-fluoro-N-…

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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)	3.21	9.3	-13.5	1	5	0	66	394.233	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.66	6.6	-47.36	0	5	-1	69	393.225	4	↓ MOL2 SDF SMILES Flexibase

13415767

Analogs

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Popular Name: 3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propyl-carbamoyl]-5-nitro-benzoic 3-[(7-chloro-4-oxo-3H-quinazolin…

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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)	2.79	9.6	-48.77	1	10	-1	152	443.823	7	↓ MOL2 SDF SMILES Flexibase

14229906

Analogs

14229909
4157158

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Popular Name: 3-bromo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-sec-butyl-benzamide 3-bromo-N-[(4-oxo-3H-quinazolin-…

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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)	3.45	9.82	-11.94	1	5	0	66	414.303	5	↓ MOL2 SDF SMILES Flexibase

14229909

Analogs

4157158
14229906

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Popular Name: 3-bromo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-sec-butyl-benzamide 3-bromo-N-[(4-oxo-3H-quinazolin-…

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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)	3.45	9.54	-14.06	1	5	0	66	414.303	5	↓ MOL2 SDF SMILES Flexibase

14240754

Analogs

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Popular Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3,5-dimethyl-benzamide N-[(6,7-dimethoxy-4-oxo-3H-quina…

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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)	2.28	8.57	-17.47	1	7	0	85	395.459	6	↓ MOL2 SDF SMILES Flexibase

14240856

Analogs

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Popular Name: 4-(difluoromethylsulfonyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 4-(difluoromethylsulfonyl)-N-eth…

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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)	1.26	6.05	-20.34	1	7	0	100	421.425	6	↓ MOL2 SDF SMILES Flexibase

14255020

Analogs

22978170

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Popular Name: 4-(difluoromethylsulfanyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 4-(difluoromethylsulfanyl)-N-(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)	2.43	8.59	-14.77	1	6	0	75	419.453	8	↓ MOL2 SDF SMILES Flexibase

14569935

Analogs

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Popular Name: 2-bromo-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-benzamide 2-bromo-N-[(7-chloro-4-oxo-3H-qu…

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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)	3.25	9.27	-13.89	1	5	0	66	420.694	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.70	6.57	-46.04	0	5	-1	69	419.686	4	↓ MOL2 SDF SMILES Flexibase

14570363

Analogs

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Popular Name: 5-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-methoxy-N-propyl-benzamide 5-chloro-N-[(7-chloro-4-oxo-3H-q…

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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)	4.20	9.44	-14.15	1	6	0	75	420.296	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.66	6.73	-48.66	0	6	-1	78	419.288	6	↓ MOL2 SDF SMILES Flexibase

14570567

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(difluoromethoxy)-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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	9.19	-16.03	1	6	0	75	421.831	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.56	6.48	-48.36	0	6	-1	78	420.823	7	↓ MOL2 SDF SMILES Flexibase

14570686

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-ethoxy-3-methoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.01	9.18	-14.7	1	7	0	85	429.904	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.47	6.67	-49.02	0	7	-1	88	428.896	8	↓ MOL2 SDF SMILES Flexibase

14570698

Analogs

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Popular Name: 3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-5-methoxy-4-propoxy-N-propyl-benzamide 3-chloro-N-[(7-chloro-4-oxo-3H-q…

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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)	4.32	11.15	-14.28	1	7	0	85	478.376	9	↓ MOL2 SDF SMILES Flexibase

14570792

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(dimethylsulfamoyl)-4-methoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	2.29	7.06	-18.92	1	9	0	113	492.985	8	↓ MOL2 SDF SMILES Flexibase

14570861

Analogs

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Popular Name: 4-bromo-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-nitro-N-propyl-benzamide 4-bromo-N-[(7-chloro-4-oxo-3H-qu…

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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)	3.68	10.67	-17.28	1	8	0	112	479.718	6	↓ MOL2 SDF SMILES Flexibase

14570948

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-isopentyloxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	11.39	-12.72	1	6	0	75	441.959	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.15	8.9	-46.25	0	6	-1	78	440.951	9	↓ MOL2 SDF SMILES Flexibase

14570983

Analogs

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Popular Name: 2-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 2-chloro-N-[(7-chloro-4-oxo-3H-q…

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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)	3.62	10.01	-13.71	1	5	0	66	390.27	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.08	7.3	-46.49	0	5	-1	69	389.262	5	↓ MOL2 SDF SMILES Flexibase

14570988

Analogs

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Popular Name: 4-bromo-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 4-bromo-N-[(7-chloro-4-oxo-3H-qu…

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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)	3.80	9.98	-12.39	1	5	0	66	434.721	5	↓ MOL2 SDF SMILES Flexibase

14570996

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-ethylamino-3-nitro-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.11	9.78	-20.12	2	9	0	124	443.891	8	↓ MOL2 SDF SMILES Flexibase

14570998

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-methoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.54	8.92	-15.19	1	6	0	75	385.851	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.00	6.21	-50	0	6	-1	78	384.843	6	↓ MOL2 SDF SMILES Flexibase

14571016

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-2-(trifluoromethyl)benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.84	10.37	-15.21	1	5	0	66	423.822	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.29	7.66	-47.73	0	5	-1	69	422.814	6	↓ MOL2 SDF SMILES Flexibase

14571034

Analogs

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Popular Name: 2,4-dichloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 2,4-dichloro-N-[(7-chloro-4-oxo-…

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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)	4.27	10.52	-12.53	1	5	0	66	424.715	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.73	7.82	-42.65	0	5	-1	69	423.707	5	↓ MOL2 SDF SMILES Flexibase

14571065

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(dimethylsulfamoyl)-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	2.28	7.45	-16.29	1	8	0	103	462.959	7	↓ MOL2 SDF SMILES Flexibase

14571071

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-isopropyl-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	4.50	10.97	-12.18	1	5	0	66	397.906	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.96	8.48	-47.2	0	5	-1	69	396.898	6	↓ MOL2 SDF SMILES Flexibase

14571080

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-iodo-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	4.02	10.89	-14.51	1	5	0	66	481.721	5	↓ MOL2 SDF SMILES Flexibase

14571115

Analogs

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Popular Name: 2,3-dichloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 2,3-dichloro-N-[(7-chloro-4-oxo-…

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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)	4.25	10.47	-14.43	1	5	0	66	424.715	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.70	7.77	-44.89	0	5	-1	69	423.707	5	↓ MOL2 SDF SMILES Flexibase

14571119

Analogs

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Popular Name: 3,5-dichloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 3,5-dichloro-N-[(7-chloro-4-oxo-…

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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)	4.27	10.07	-11.4	1	5	0	66	424.715	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.73	7.57	-42.81	0	5	-1	69	423.707	5	↓ MOL2 SDF SMILES Flexibase

14571125

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2,4-dimethoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.58	8.24	-15.71	1	7	0	85	415.877	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.03	5.52	-48.68	0	7	-1	88	414.869	7	↓ MOL2 SDF SMILES Flexibase

14571127

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-dimethylamino-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	3.07	9.46	-13.29	1	6	0	69	398.894	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	6.93	-49.46	0	6	-1	72	397.886	6	↓ MOL2 SDF SMILES Flexibase

14571138

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-ethoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	10.16	-16.56	1	6	0	75	399.878	7	↓ MOL2 SDF SMILES Flexibase

14571146

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 5-bromo-2-chloro-N-[(7-chloro-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)	4.40	10.98	-13.44	1	5	0	66	469.166	5	↓ MOL2 SDF SMILES Flexibase

14571161

Analogs

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Popular Name: N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dimethoxy-N-propyl-benzamide N-[(7-chloro-4-oxo-3H-quinazolin…

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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)	2.63	8.11	-16.2	1	7	0	85	415.877	7	↓ MOL2 SDF SMILES Flexibase

14571163

Analogs

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Popular Name: 2-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-5-methylsulfanyl-N-propyl-benzamide 2-chloro-N-[(7-chloro-4-oxo-3H-q…

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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)	4.03	11.37	-14.38	1	5	0	66	436.364	6	↓ MOL2 SDF SMILES Flexibase

14571242

Analogs

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Popular Name: 3-acetamido-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-benzamide 3-acetamido-N-[(7-chloro-4-oxo-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)	2.18	7.82	-20.41	2	7	0	95	412.877	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	5.42	-61.85	1	7	-1	98	411.869	6	↓ MOL2 SDF SMILES Flexibase

69209682

Analogs

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Popular Name: 3-chloro-4-ethoxy-N-isopropyl-5-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 3-chloro-4-ethoxy-N-isopropyl-5-…

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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)	2.95	9.04	-14.44	1	7	0	85	429.904	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	7.03	-55.88	0	7	-1	88	428.896	7	↓ MOL2 SDF SMILES Flexibase

69209706

Analogs

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Popular Name: 3-ethoxy-N-isopropyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-propoxy-benzamide 3-ethoxy-N-isopropyl-N-[(4-oxo-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)	3.03	10.09	-14.72	1	7	0	85	423.513	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.49	8.16	-63.46	0	7	-1	88	422.505	9	↓ MOL2 SDF SMILES Flexibase

69209744

Analogs

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Popular Name: 4-butoxy-N-isopropyl-3-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 4-butoxy-N-isopropyl-3-methoxy-N…

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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)	3.21	9.94	-14.68	1	7	0	85	423.513	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.67	8.02	-63.14	0	7	-1	88	422.505	9	↓ MOL2 SDF SMILES Flexibase

69209748

Analogs

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Popular Name: 2-chloro-N-isopropyl-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide 2-chloro-N-isopropyl-5-nitro-N-[…

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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)	2.69	9.72	-14.66	1	8	0	112	400.822	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	6.72	-48.06	0	8	-1	115	399.814	5	↓ MOL2 SDF SMILES Flexibase

69209753

Analogs

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Popular Name: N-isopropyl-2,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide N-isopropyl-2,3-dimethyl-N-[(4-o…

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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)	2.93	9.91	-13.66	1	5	0	66	349.434	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.39	7.55	-60.12	0	5	-1	69	348.426	4	↓ MOL2 SDF SMILES Flexibase

69230640

Analogs

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Popular Name: 4-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-nitro-N-propyl-benzamide 4-chloro-N-[(7-chloro-4-oxo-3H-q…

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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)	3.55	11.54	-17.34	1	8	0	112	435.267	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.01	8.83	-47.01	0	8	-1	115	434.259	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 8865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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