ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

38730956

Analogs

38730960
38730964
38730967
2448658
2408235

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(4-isopropylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9- (1R)-7-ethyl-1-(4-isopropylpheny…

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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)	5.37	13.51	-11.41	0	6	0	76	445.544	4	↓ MOL2 SDF SMILES Flexibase

38730960

Analogs

38730964
38730967
38730956
2448658
2408235

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(4-isopropylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9- (1S)-7-ethyl-1-(4-isopropylpheny…

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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)	5.37	13.5	-11.39	0	6	0	76	445.544	4	↓ MOL2 SDF SMILES Flexibase

38730964

Analogs

38730967
38730956
38730960
2448658

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-tert-butylphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-1-(4-tert-butylphenyl)-7-et…

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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	13.91	-11.37	0	6	0	76	459.571	4	↓ MOL2 SDF SMILES Flexibase

38730967

Analogs

38730956
38730960
38730964
2448658

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-tert-butylphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-1-(4-tert-butylphenyl)-7-et…

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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	13.9	-11.33	0	6	0	76	459.571	4	↓ MOL2 SDF SMILES Flexibase

38731020

Analogs

38731023
2412568
2412569

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-1-(3,4-dichlorophenyl)-7-et…

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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	12.54	-10.63	0	6	0	76	472.353	3	↓ MOL2 SDF SMILES Flexibase

38731023

Analogs

38731020
2412568
2412569

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-1-(3,4-dichlorophenyl)-7-et…

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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	12.53	-10.57	0	6	0	76	472.353	3	↓ MOL2 SDF SMILES Flexibase

38731025

Analogs

38731028
2412055
2412056

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(3-bromophenyl)-7-ethyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	12.19	-11.12	0	6	0	76	482.359	3	↓ MOL2 SDF SMILES Flexibase

38731028

Analogs

38731025
2412055
2412056

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(3-bromophenyl)-7-ethyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	12.18	-11.09	0	6	0	76	482.359	3	↓ MOL2 SDF SMILES Flexibase

38731030

Analogs

38731033
2406804
2406805

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-bromophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(4-bromophenyl)-7-ethyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	12.21	-10.77	0	6	0	76	482.359	3	↓ MOL2 SDF SMILES Flexibase

38731033

Analogs

38731030
2406804
2406805

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-bromophenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(4-bromophenyl)-7-ethyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	12.2	-10.7	0	6	0	76	482.359	3	↓ MOL2 SDF SMILES Flexibase

38731036

Analogs

38731039
1876937
1876938

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	3.79	12.29	-14.18	0	9	0	122	448.46	4	↓ MOL2 SDF SMILES Flexibase

38731039

Analogs

38731036
1876937

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	3.79	12.28	-14.32	0	9	0	122	448.46	4	↓ MOL2 SDF SMILES Flexibase

38731041

Analogs

38731044
1868837
1868838

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-7-ethyl-2-(5-methyl-1,3,4-t…

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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	12.3	-12.99	0	9	0	122	448.46	4	↓ MOL2 SDF SMILES Flexibase

38731044

Analogs

38731041
1868837

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-7-ethyl-2-(5-methyl-1,3,4-t…

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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	12.29	-12.83	0	9	0	122	448.46	4	↓ MOL2 SDF SMILES Flexibase

38731047

Analogs

38731050
2400545
2400546

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.03	12.22	-14.12	0	8	0	103	461.499	5	↓ MOL2 SDF SMILES Flexibase

38731050

Analogs

38731047
2400545
2400546

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.03	12.21	-13.91	0	8	0	103	461.499	5	↓ MOL2 SDF SMILES Flexibase

38731054

Analogs

38731057
11614254
11614255

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(2-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-7-ethyl-1-(2-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)	3.86	11.87	-12.44	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731057

Analogs

38731054
11614254
11614255

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(2-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-7-ethyl-1-(2-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)	3.86	11.91	-12.75	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731061

Analogs

38731064
40038847
2421045
2421046

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-7-ethyl-1-(3-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)	3.89	10.88	-13.27	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731064

Analogs

40038847
38731061
2421045
2421046

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-7-ethyl-1-(3-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)	3.89	10.87	-13.34	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731066

Analogs

38731069
38731087
38731091
2399756
2399757

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1R)-1-(3-ethoxyphenyl)-7-ethyl-…

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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)	4.26	11.81	-13.11	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731069

Analogs

38731087
38731091
38731066
2399756
2399757

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethoxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1S)-1-(3-ethoxyphenyl)-7-ethyl-…

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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)	4.26	11.8	-13.22	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731071

Analogs

38731075
40038869
40038870
40038899
2414796

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	4.77	12.6	-12.9	0	7	0	86	461.543	6	↓ MOL2 SDF SMILES Flexibase

38731075

Analogs

40038869
40038870
40038899
38731071
2414796

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	4.77	12.6	-12.93	0	7	0	86	461.543	6	↓ MOL2 SDF SMILES Flexibase

38731079

Analogs

38731083
2377925
2377927

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-allyloxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1R)-1-(3-allyloxyphenyl)-7-ethy…

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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)	4.53	12.38	-13.11	0	7	0	86	459.527	6	↓ MOL2 SDF SMILES Flexibase

38731083

Analogs

38731079
2377925
2377927

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-allyloxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-d (1S)-1-(3-allyloxyphenyl)-7-ethy…

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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)	4.53	12.37	-13.17	0	7	0	86	459.527	6	↓ MOL2 SDF SMILES Flexibase

38731087

Analogs

38731091
38731066
38731069
2399756

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(3-isopropoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1R)-7-ethyl-1-(3-isopropoxyphen…

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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)	4.63	12.42	-13.08	0	7	0	86	461.543	5	↓ MOL2 SDF SMILES Flexibase

38731091

Analogs

38731066
38731069
38731087
2399756

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(3-isopropoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9 (1S)-7-ethyl-1-(3-isopropoxyphen…

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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)	4.63	12.42	-12.16	0	7	0	86	461.543	5	↓ MOL2 SDF SMILES Flexibase

38731094

Analogs

38731097
35485621
35485624

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-1-(4-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1R)-7-ethyl-1-(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)	3.91	10.89	-12.63	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731097

Analogs

40038668
38731094
2424710

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-1-(4-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-di (1S)-7-ethyl-1-(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)	3.91	10.87	-12.55	0	7	0	86	433.489	4	↓ MOL2 SDF SMILES Flexibase

38731101

Analogs

38731105
40038723
40038724
2429388
2429389

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3, (1R)-1-(3,4-dimethoxyphenyl)-7-e…

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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)	3.50	10.78	-14.51	0	8	0	95	463.515	5	↓ MOL2 SDF SMILES Flexibase

38731105

Analogs

40038723
40038724
38731101
2429388
2429389

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3, (1S)-1-(3,4-dimethoxyphenyl)-7-e…

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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)	3.50	10.77	-14.36	0	8	0	95	463.515	5	↓ MOL2 SDF SMILES Flexibase

38731108

Analogs

38731112
2426723
2426724

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole (1R)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	3.49	10.72	-15.36	0	9	0	104	493.541	6	↓ MOL2 SDF SMILES Flexibase

38731112

Analogs

38731108
2426723
2426724

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole (1S)-7-ethyl-2-(5-methyl-1,3,4-t…

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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)	3.49	10.71	-15.33	0	9	0	104	493.541	6	↓ MOL2 SDF SMILES Flexibase

38731181

Analogs

38731185
2428825
2428826

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.54	12.01	-11.86	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731185

Analogs

38731181
2428825
2428826

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.54	12.18	-12.27	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731189

Analogs

38731193
2428561
2428562

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.57	12.41	-11.05	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731193

Analogs

38731189
2428561

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.57	12.4	-11.12	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731197

Analogs

38731201
2424557
9303894

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.59	12.41	-10.59	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731201

Analogs

38731197
2424557
9303894

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.59	12.4	-10.48	0	6	0	76	435.48	4	↓ MOL2 SDF SMILES Flexibase

38731245

Analogs

38731248
1875337
1875338

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.39	13.05	-12.47	0	9	0	122	462.487	5	↓ MOL2 SDF SMILES Flexibase

38731248

Analogs

38731245
1875337

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.39	13.05	-12.21	0	9	0	122	462.487	5	↓ MOL2 SDF SMILES Flexibase

38731252

Analogs

38731255
2403757
2403758

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.60	12.98	-13.56	0	8	0	103	475.526	6	↓ MOL2 SDF SMILES Flexibase

38731255

Analogs

38731252
2403757
2403758

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.60	12.98	-13.28	0	8	0	103	475.526	6	↓ MOL2 SDF SMILES Flexibase

38731259

Analogs

38731262
2433121
2433123

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.44	12.63	-11.78	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731262

Analogs

38731259
2433121
2433123

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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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)	4.44	12.67	-12.11	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731268

Analogs

38731272
40038855
2423814
2423815

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1R)-7-ethyl-2-(5-ethyl-1,3,4-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	11.63	-12.66	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731272

Analogs

40038855
38731268
2423814
2423815

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dio (1S)-7-ethyl-2-(5-ethyl-1,3,4-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.46	11.62	-12.67	0	7	0	86	447.516	5	↓ MOL2 SDF SMILES Flexibase

38731275

Analogs

38731277
38731293
38731296
2415966
2415967

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-ethoxyphenyl)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1R)-1-(3-ethoxyphenyl)-7-ethyl-…

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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)	4.84	12.56	-12.51	0	7	0	86	461.543	6	↓ MOL2 SDF SMILES Flexibase

38731277

Analogs

38731293
38731296
38731275
2415966
2415967

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-ethoxyphenyl)-7-ethyl-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dion (1S)-1-(3-ethoxyphenyl)-7-ethyl-…

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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)	4.84	12.55	-12.57	0	7	0	86	461.543	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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SQL Query Was

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