ZINC 12

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ZINC Item

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12031973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)ethanone 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	1.75	0.28	-18.91	0	4	0	42	242.278	1	↓ MOL2 SDF SMILES Flexibase

12031975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	1.92	0.66	-9.38	0	4	0	42	256.305	2	↓ MOL2 SDF SMILES Flexibase

12031977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)butan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	2.48	0.81	-9.19	0	4	0	42	270.332	3	↓ MOL2 SDF SMILES Flexibase

12031980

Analogs

12031994

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-methyl-propan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	2.83	0.69	-18.31	0	4	0	42	270.332	2	↓ MOL2 SDF SMILES Flexibase

12031983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone cyclopropyl-(6-methoxy-2,3-dihyd…

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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)	2.58	0.46	-9.93	0	4	0	42	268.316	2	↓ MOL2 SDF SMILES Flexibase

12031984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methyl-butan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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	1.15	-8.88	0	4	0	42	284.359	3	↓ MOL2 SDF SMILES Flexibase

12031989

Analogs

12031991

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-[(2S)-tetrahydrofuran-2-yl]methanone (6-methoxy-2,3-dihydropyrrolo[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)	2.08	0.13	-12.45	0	5	0	52	298.342	2	↓ MOL2 SDF SMILES Flexibase

12031991

Analogs

12031989

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-[(2R)-tetrahydrofuran-2-yl]methanone (6-methoxy-2,3-dihydropyrrolo[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)	2.08	0.13	-12.43	0	5	0	52	298.342	2	↓ MOL2 SDF SMILES Flexibase

12031994

Analogs

12031980

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2,2-dimethyl-propan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	3.41	0.93	-18.59	0	4	0	42	284.359	2	↓ MOL2 SDF SMILES Flexibase

12031997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)butan-1-one 2-ethyl-1-(6-methoxy-2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	1.55	-9.02	0	4	0	42	298.386	4	↓ MOL2 SDF SMILES Flexibase

12031999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-furyl-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone 2-furyl-(6-methoxy-2,3-dihydropy…

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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	0.88	-18.29	0	5	0	56	294.31	2	↓ MOL2 SDF SMILES Flexibase

12032002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(2-thienyl)methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.32	-0.24	-19.03	0	4	0	42	310.378	2	↓ MOL2 SDF SMILES Flexibase

12032006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-phenyl-methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.42	8.98	-20.98	0	4	0	42	304.349	2	↓ MOL2 SDF SMILES Flexibase

12032008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (2-fluorophenyl)-(6-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	0.94	-25.82	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (3-fluorophenyl)-(6-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	1	-17.53	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (4-fluorophenyl)-(6-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	1	-19.48	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.98	0.97	-24.24	0	5	0	52	334.375	3	↓ MOL2 SDF SMILES Flexibase

12032028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(3-methoxyphenyl)methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.45	0.28	-23.87	0	5	0	52	334.375	3	↓ MOL2 SDF SMILES Flexibase

12032030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(4-methoxyphenyl)methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.48	0.29	-21.48	0	5	0	52	334.375	3	↓ MOL2 SDF SMILES Flexibase

12032033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethoxyphenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (3,5-dimethoxyphenyl)-(6-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	0.3	-21.02	0	6	0	61	364.401	4	↓ MOL2 SDF SMILES Flexibase

12032038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethoxyphenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (2,6-dimethoxyphenyl)-(6-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	0.83	-17.78	0	6	0	61	364.401	4	↓ MOL2 SDF SMILES Flexibase

12032040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethoxyphenyl)-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (3,4-dimethoxyphenyl)-(6-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	0.61	-23.62	0	6	0	61	364.401	4	↓ MOL2 SDF SMILES Flexibase

12032041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (6-methoxy-2,3-dihydropyrrolo[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)	3.05	1.78	-12.87	0	7	0	70	394.427	5	↓ MOL2 SDF SMILES Flexibase

12032045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-phenoxy-ethanone 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	3.39	0.92	-12.88	0	5	0	52	334.375	4	↓ MOL2 SDF SMILES Flexibase

12032048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenoxy-propan-1-one 1-(6-methoxy-2,3-dihydropyrrolo[…

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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)	2.99	0.5	-10.62	0	5	0	52	348.402	5	↓ MOL2 SDF SMILES Flexibase

12032063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N,N-dimethyl-2,3-dihydropyrrolo[2,3-b]quinoline-1-sulfonamide 6-methoxy-N,N-dimethyl-2,3-dihyd…

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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)	1.77	-3.99	-14.87	0	6	0	63	307.375	3	↓ MOL2 SDF SMILES Flexibase

12032064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(benzenesulfonyl)-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(benzenesulfonyl)-6-methoxy-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)	3.30	-3.55	-16.23	0	5	0	60	340.404	3	↓ MOL2 SDF SMILES Flexibase

12032065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)sulfonyl-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(4-fluorophenyl)sulfonyl-6-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	-2.81	-14.56	0	5	0	60	358.394	3	↓ MOL2 SDF SMILES Flexibase

12032067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 6-methoxy-1-(4-methoxyphenyl)sul…

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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)	3.35	-3.53	-15.92	0	6	0	69	370.43	4	↓ MOL2 SDF SMILES Flexibase

12032074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-1-phenethylsulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 6-methoxy-1-phenethylsulfonyl-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)	3.57	-3.4	-16.57	0	5	0	60	368.458	5	↓ MOL2 SDF SMILES Flexibase

12032076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)sulfonyl]benzoic 4-[(6-methoxy-2,3-dihydropyrrolo…

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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	-3.97	-57.55	0	7	-1	100	383.405	4	↓ MOL2 SDF SMILES Flexibase

12032082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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)	2.05	-5.07	-17.27	1	7	0	88	358.423	3	↓ MOL2 SDF SMILES Flexibase

12032084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(3,5-dimethylisoxazol-4-yl)sul…

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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)	2.15	-2.19	-13.53	0	7	0	86	359.407	3	↓ MOL2 SDF SMILES Flexibase

12032086

Analogs

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Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)ethanone 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	1.73	0.74	-12.17	0	4	0	42	242.278	1	↓ MOL2 SDF SMILES Flexibase

12032088

Analogs

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Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)butan-1-one 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	2.45	0.88	-11.57	0	4	0	42	270.332	3	↓ MOL2 SDF SMILES Flexibase

12032090

Analogs

12032103

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-methyl-propan-1-one 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	2.81	1.24	-11.63	0	4	0	42	270.332	2	↓ MOL2 SDF SMILES Flexibase

12032092

Analogs

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Popular Name: cyclopropyl-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone cyclopropyl-(8-methoxy-2,3-dihyd…

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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)	2.56	0.53	-12.26	0	4	0	42	268.316	2	↓ MOL2 SDF SMILES Flexibase

12032093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)pentan-1-one 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	2.96	1	-11.45	0	4	0	42	284.359	4	↓ MOL2 SDF SMILES Flexibase

12032095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-methyl-butan-1-one 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	2.67	1.21	-11.17	0	4	0	42	284.359	3	↓ MOL2 SDF SMILES Flexibase

12032100

Analogs

12032102

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-[(2S)-tetrahydrofuran-2-yl]methanone (8-methoxy-2,3-dihydropyrrolo[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)	2.06	0.26	-14.14	0	5	0	52	298.342	2	↓ MOL2 SDF SMILES Flexibase

12032102

Analogs

12032100

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-[(2R)-tetrahydrofuran-2-yl]methanone (8-methoxy-2,3-dihydropyrrolo[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)	2.06	0.22	-14.13	0	5	0	52	298.342	2	↓ MOL2 SDF SMILES Flexibase

12032103

Analogs

12032090

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2,2-dimethyl-propan-1-one 1-(8-methoxy-2,3-dihydropyrrolo[…

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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)	3.39	2.06	-10.33	0	4	0	42	284.359	2	↓ MOL2 SDF SMILES Flexibase

12032105

Analogs

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Popular Name: 2-ethyl-1-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)butan-1-one 2-ethyl-1-(8-methoxy-2,3-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	1.62	-10.89	0	4	0	42	298.386	4	↓ MOL2 SDF SMILES Flexibase

12032107

Analogs

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Popular Name: 2-furyl-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone 2-furyl-(8-methoxy-2,3-dihydropy…

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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)	2.65	0.95	-23.34	0	5	0	56	294.31	2	↓ MOL2 SDF SMILES Flexibase

12032109

Analogs

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Popular Name: (8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(2-thienyl)methanone (8-methoxy-2,3-dihydropyrrolo[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)	3.30	-0.16	-24.2	0	4	0	42	310.378	2	↓ MOL2 SDF SMILES Flexibase

12032111

Analogs

12032126

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-phenyl-methanone (8-methoxy-2,3-dihydropyrrolo[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)	3.40	9.06	-26.25	0	4	0	42	304.349	2	↓ MOL2 SDF SMILES Flexibase

12032112

Analogs

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Popular Name: (2-fluorophenyl)-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (2-fluorophenyl)-(8-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	1.01	-31.26	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (3-fluorophenyl)-(8-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	1.08	-22.32	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone (4-fluorophenyl)-(8-methoxy-2,3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	1.07	-24.36	0	4	0	42	322.339	2	↓ MOL2 SDF SMILES Flexibase

12032122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (8-methoxy-2,3-dihydropyrrolo[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)	3.95	1.05	-29.59	0	5	0	52	334.375	3	↓ MOL2 SDF SMILES Flexibase

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