ZINC 12

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ZINC Item

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19995193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-2-(2-furyl)imidazo[4,5-b]quinoxaline 3-(4-fluorophenyl)-2-(2-furyl)im…

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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)	4.29	10.73	-14.28	0	5	0	57	330.322	2	↓ MOL2 SDF SMILES Flexibase

13281833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(2-chlorophenyl)-2-(3-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)	6.48	13.44	-17.55	0	4	0	44	391.261	2	↓ MOL2 SDF SMILES Flexibase

13281834

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-(3-chloro-4-fluoro-phenyl)-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)	5.74	11.92	-12.71	0	4	0	44	380.835	2	↓ MOL2 SDF SMILES Flexibase

13281835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-2-(4-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(3-chloro-4-fluoro-phenyl)-2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.64	13.29	-11.29	0	4	0	44	409.251	2	↓ MOL2 SDF SMILES Flexibase

13281836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(3-chloro-4-fluoro-phenyl)-2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.61	13.28	-12.7	0	4	0	44	409.251	2	↓ MOL2 SDF SMILES Flexibase

13281837

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(1,3-benzodioxol-5-yl)-2-(3-ch…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.74	11.35	-15.93	0	6	0	62	400.825	2	↓ MOL2 SDF SMILES Flexibase

13281838

Analogs

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Popular Name: 2-(4-chlorophenyl)-3-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-(4-fluoroph…

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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)	5.82	12.78	-11.78	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

13281839

Analogs

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Popular Name: 2-(3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-(2,3-dihydr…

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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)	5.35	11.87	-16.23	0	6	0	62	414.852	2	↓ MOL2 SDF SMILES Flexibase

13281840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-3-(3-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-(3-fluoroph…

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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)	6.01	12.8	-13.76	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

13281841

Analogs

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Popular Name: 3-(3-bromophenyl)-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-(3-bromophenyl)-2-(2-thienyl)i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.76	11.98	-14.47	0	4	0	44	407.296	2	↓ MOL2 SDF SMILES Flexibase

13281842

Analogs

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Popular Name: 3-(3,5-dichlorophenyl)-2-(2-furyl)imidazo[4,5-b]quinoxaline 3-(3,5-dichlorophenyl)-2-(2-fury…

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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)	5.83	11.68	-13.08	0	5	0	57	381.222	2	↓ MOL2 SDF SMILES Flexibase

13281843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dichlorophenyl)-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-(3,5-dichlorophenyl)-2-(2-thie…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.47	12.38	-12.66	0	4	0	44	397.29	2	↓ MOL2 SDF SMILES Flexibase

13281844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dichlorophenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 3-(3,5-dichlorophenyl)-2-(4-fluo…

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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)	6.85	13.3	-10.84	0	4	0	44	409.251	2	↓ MOL2 SDF SMILES Flexibase

13281845

Analogs

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Popular Name: 3-(3-chlorophenyl)-2-(4-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(3-chlorophenyl)-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)	6.52	13.25	-13.1	0	4	0	44	391.261	2	↓ MOL2 SDF SMILES Flexibase

13281846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-bis(3-chlorophenyl)imidazo[4,5-b]quinoxaline 2,3-bis(3-chlorophenyl)imidazo[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)	6.50	13.23	-14.37	0	4	0	44	391.261	2	↓ MOL2 SDF SMILES Flexibase

13281847

Analogs

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Popular Name: 2-(3-chlorophenyl)-3-(4-chlorophenyl)imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-(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)	6.31	13.24	-13.18	0	4	0	44	391.261	2	↓ MOL2 SDF SMILES Flexibase

13281848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-3-(2-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-(2-fluoroph…

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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)	5.98	12.88	-17.23	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

13281849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-3-(2-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-(2-fluoroph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.96	12.87	-19.45	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

13281897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dichlorophenyl)-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-(3,4-dichlorophenyl)-2-(2-thie…

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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)	6.26	12.33	-12.58	0	4	0	44	397.29	2	↓ MOL2 SDF SMILES Flexibase

13282000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-2-(2-furyl)imidazo[4,5-b]quinoxaline 3-[(4-chlorophenyl)methyl]-2-(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)	5.12	11.71	-14.72	0	5	0	57	360.804	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	12.15	-29.24	1	5	1	58	361.812	3	↓ MOL2 SDF SMILES Flexibase

13282003

Analogs

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Popular Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-[(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)	6.66	13.74	-13.87	0	4	0	44	405.288	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.66	14.17	-31.47	1	4	1	45	406.296	3	↓ MOL2 SDF SMILES Flexibase

13282004

Analogs

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Popular Name: 3-(3-bromophenyl)-2-(2-furyl)imidazo[4,5-b]quinoxaline 3-(3-bromophenyl)-2-(2-furyl)imi…

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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)	5.12	11.27	-14.98	0	5	0	57	391.228	2	↓ MOL2 SDF SMILES Flexibase

13282005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenyl)-3-(2-furylmethyl)imidazo[4,5-b]quinoxaline 2-(3-bromophenyl)-3-(2-furylmeth…

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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)	5.34	11.55	-15.21	0	5	0	57	405.255	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.34	11.98	-27.13	1	5	1	58	406.263	3	↓ MOL2 SDF SMILES Flexibase

13282007

Analogs

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Popular Name: 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-[(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)	6.63	13.69	-15.88	0	4	0	44	405.288	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.63	14.13	-31.22	1	4	1	45	406.296	3	↓ MOL2 SDF SMILES Flexibase

13282009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 3-[(4-chlorophenyl)methyl]-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)	6.14	13.28	-14.14	0	4	0	44	388.833	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.14	13.71	-32.09	1	4	1	45	389.841	3	↓ MOL2 SDF SMILES Flexibase

13282014

Analogs

34569008

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Popular Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)imidazo[4,5-b]quinoxaline 3-(1,3-benzodioxol-5-ylmethyl)-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)	5.87	11.85	-17.4	0	6	0	62	414.852	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.87	12.28	-35.17	1	6	1	63	415.86	3	↓ MOL2 SDF SMILES Flexibase

13282016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 3-(1,3-benzodioxol-5-yl)-2-(4-fl…

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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	10.9	-14.45	0	6	0	62	384.37	2	↓ MOL2 SDF SMILES Flexibase

13282017

Analogs

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Popular Name: 3-(2,4-dichlorophenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 3-(2,4-dichlorophenyl)-2-(4-fluo…

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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)	6.64	13.51	-12.7	0	4	0	44	409.251	2	↓ MOL2 SDF SMILES Flexibase

13282018

Analogs

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Popular Name: 2-(3-chlorophenyl)-3-(3-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-(3-fluoroph…

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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)	5.98	12.79	-14.76	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

13282020

Analogs

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Popular Name: 2-(3-chlorophenyl)-3-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 2-(3-chlorophenyl)-3-(4-fluoroph…

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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)	5.80	12.79	-13.4	0	4	0	44	374.806	2	↓ MOL2 SDF SMILES Flexibase

538673

Analogs

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Popular Name: 3-cyclopentyl-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-cyclopentyl-2-(2-thienyl)imida…

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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)	4.89	-1.63	-14.37	0	4	0	43	320.421	2	↓ MOL2 SDF SMILES Flexibase

539026

Analogs

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Popular Name: 3-cyclohexyl-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline 3-cyclohexyl-2-(4-fluorophenyl)i…

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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)	5.77	-0.16	-13.09	0	4	0	43	346.409	2	↓ MOL2 SDF SMILES Flexibase

539131

Analogs

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Popular Name: 2-(2-chlorophenyl)-3-propyl-imidazo[4,5-b]quinoxaline 2-(2-chlorophenyl)-3-propyl-imid…

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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)	5.21	-0.62	-16.54	0	4	0	43	322.799	3	↓ MOL2 SDF SMILES Flexibase

539199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-2-(o-tolyl)imidazo[4,5-b]quinoxaline 1-isobutyl-2-(o-tolyl)imidazo[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)	5.23	0.22	-13.77	0	4	0	43	316.408	3	↓ MOL2 SDF SMILES Flexibase

539328

Analogs

539329

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Popular Name: 2-(2-fluorophenyl)-3-[(1R)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(2-fluorophenyl)-3-[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.06	0.79	-18.83	0	4	0	43	320.371	3	↓ MOL2 SDF SMILES Flexibase

539329

Analogs

539328

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-3-[(1S)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(2-fluorophenyl)-3-[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.06	0.79	-18.82	0	4	0	43	320.371	3	↓ MOL2 SDF SMILES Flexibase

539335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-2-(p-tolyl)imidazo[4,5-b]quinoxaline 1-allyl-2-(p-tolyl)imidazo[4,5-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)	4.80	0.09	-13.91	0	4	0	43	300.365	3	↓ MOL2 SDF SMILES Flexibase

539432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-2-phenyl-imidazo[4,5-b]quinoxaline 3-isobutyl-2-phenyl-imidazo[4,5-…

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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)	4.83	-0.25	-14.65	0	4	0	43	302.381	3	↓ MOL2 SDF SMILES Flexibase

539584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-(3-chlorophenyl)imidazo[4,5-b]quinoxaline 3-allyl-2-(3-chlorophenyl)imidaz…

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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)	5.00	-0.38	-14.53	0	4	0	43	320.783	3	↓ MOL2 SDF SMILES Flexibase

539627

Analogs

539628
2405323
2405324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-3-[(1R)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-[(1R)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.62	-0.37	-13.11	0	4	0	43	336.826	3	↓ MOL2 SDF SMILES Flexibase

539628

Analogs

539627

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-3-[(1S)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(4-chlorophenyl)-3-[(1S)-1-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.62	-0.37	-13.09	0	4	0	43	336.826	3	↓ MOL2 SDF SMILES Flexibase

539650

Analogs

539651

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-3-[(1R)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(4-methoxyphenyl)-3-[(1R)-1-me…

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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)	5.00	-0.19	-14.4	0	5	0	52	332.407	4	↓ MOL2 SDF SMILES Flexibase

539651

Analogs

539650

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-3-[(1S)-1-methylpropyl]imidazo[4,5-b]quinoxaline 2-(4-methoxyphenyl)-3-[(1S)-1-me…

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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)	5.00	0.13	-14.7	0	5	0	52	332.407	4	↓ MOL2 SDF SMILES Flexibase

539851

Analogs

2405323
2405324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-1-cyclopentyl-imidazo[4,5-b]quinoxaline 2-(2-chlorophenyl)-1-cyclopentyl…

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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	-1.06	-16.52	0	4	0	43	348.837	2	↓ MOL2 SDF SMILES Flexibase

539889

Analogs

2429385

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isoamyl-2-(o-tolyl)imidazo[4,5-b]quinoxaline 1-isoamyl-2-(o-tolyl)imidazo[4,5…

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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)	5.76	0.41	-13.67	0	4	0	43	330.435	4	↓ MOL2 SDF SMILES Flexibase

540303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-3-isobutyl-imidazo[4,5-b]quinoxaline 2-(2-furyl)-3-isobutyl-imidazo[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)	3.97	0.16	-14.39	0	5	0	56	292.342	3	↓ MOL2 SDF SMILES Flexibase

540482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-allyl-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-allyl-2-(2-thienyl)imidazo[4,5…

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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)	4.13	9.51	-14.06	0	4	0	44	292.367	3	↓ MOL2 SDF SMILES Flexibase

540519

Analogs

2377892
2424234

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-3-isoamyl-imidazo[4,5-b]quinoxaline 2-(2-fluorophenyl)-3-isoamyl-imi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.47	0.56	-18.22	0	4	0	43	334.398	4	↓ MOL2 SDF SMILES Flexibase

540525

Analogs

2414601

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isoamyl-2-(2-thienyl)imidazo[4,5-b]quinoxaline 3-isoamyl-2-(2-thienyl)imidazo[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)	5.14	-0.7	-14.1	0	4	0	43	322.437	4	↓ MOL2 SDF SMILES Flexibase

540624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-2-(3-methoxyphenyl)imidazo[4,5-b]quinoxaline 1-allyl-2-(3-methoxyphenyl)imida…

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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)	4.38	9.55	-14.15	0	5	0	53	316.364	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 56731
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 = 56731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=56731&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": "56731"        

    });
</script>

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