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ZINC Item

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40232251

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone (5-bromo-2-thienyl)-[(2R)-2-meth…

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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)	2.94	6.01	-7.11	0	2	0	20	274.183	1	↓ MOL2 SDF SMILES Flexibase

40232253

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(2S)-2-methylpyrrolidin-1-yl]methanone (5-bromo-2-thienyl)-[(2S)-2-meth…

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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)	2.94	6	-7.16	0	2	0	20	274.183	1	↓ MOL2 SDF SMILES Flexibase

40232255

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(2R)-2-ethylpyrrolidin-1-yl]methanone (5-bromo-2-thienyl)-[(2R)-2-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)	3.48	6.67	-7.15	0	2	0	20	288.21	2	↓ MOL2 SDF SMILES Flexibase

40232257

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(2S)-2-ethylpyrrolidin-1-yl]methanone (5-bromo-2-thienyl)-[(2S)-2-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)	3.48	6.74	-7.3	0	2	0	20	288.21	2	↓ MOL2 SDF SMILES Flexibase

40232317

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-pyrrolidin-1-yl-methanone [5-(3-hydroxyprop-1-ynyl)-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)	1.48	3.72	-11.2	1	3	0	41	235.308	1	↓ MOL2 SDF SMILES Flexibase

40232318

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-pyrrolidin-1-yl-methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	1.76	4.49	-9.62	1	3	0	41	249.335	2	↓ MOL2 SDF SMILES Flexibase

40233307

Analogs

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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)	1.33	4.51	-17.07	1	5	0	67	293.344	3	↓ MOL2 SDF SMILES Flexibase

40233309

Analogs

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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)	1.33	4.5	-16.87	1	5	0	67	293.344	3	↓ MOL2 SDF SMILES Flexibase

40233312

Analogs

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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)	1.60	5.29	-15.39	1	5	0	67	307.371	4	↓ MOL2 SDF SMILES Flexibase

40233314

Analogs

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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)	1.60	5.27	-15.39	1	5	0	67	307.371	4	↓ MOL2 SDF SMILES Flexibase

40233438

Analogs

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Popular Name: (2R)-1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[5-(3-hydroxyprop-1-ynyl)…

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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)	0.76	0.44	-19.55	3	5	0	84	278.333	2	↓ MOL2 SDF SMILES Flexibase

40233439

Analogs

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Popular Name: (2S)-1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[5-(3-hydroxyprop-1-ynyl)…

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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)	0.76	0.44	-19.61	3	5	0	84	278.333	2	↓ MOL2 SDF SMILES Flexibase

40233441

Analogs

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Popular Name: (2R)-1-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxamide (2R)-1-[5-(4-hydroxybut-1-ynyl)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)	1.03	1.22	-17.89	3	5	0	84	292.36	3	↓ MOL2 SDF SMILES Flexibase

40233443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxamide (2S)-1-[5-(4-hydroxybut-1-ynyl)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)	1.03	1.21	-18.07	3	5	0	84	292.36	3	↓ MOL2 SDF SMILES Flexibase

61703921

Analogs

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Popular Name: N-[5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2-thienyl]acetamide N-[5-[(3S)-3-hydroxypyrrolidine-…

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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)	0.10	0.34	-13.74	2	5	0	70	254.311	2	↓ MOL2 SDF SMILES Flexibase

61703922

Analogs

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Popular Name: N-[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-thienyl]acetamide N-[5-[(3R)-3-hydroxypyrrolidine-…

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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)	0.10	0.22	-14.52	2	5	0	70	254.311	2	↓ MOL2 SDF SMILES Flexibase

40233648

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	1.81	4.3	-11.31	1	3	0	41	249.335	1	↓ MOL2 SDF SMILES Flexibase

40233649

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	1.81	4.28	-11.55	1	3	0	41	249.335	1	↓ MOL2 SDF SMILES Flexibase

40233651

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2R)-2-methylpyrrolidin-1-yl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.09	5.07	-9.71	1	3	0	41	263.362	2	↓ MOL2 SDF SMILES Flexibase

40233652

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2S)-2-methylpyrrolidin-1-yl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.09	5.05	-9.51	1	3	0	41	263.362	2	↓ MOL2 SDF SMILES Flexibase

40233654

Analogs

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Popular Name: [(2R)-2-ethylpyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2R)-2-ethylpyrrolidin-1-yl]-[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)	2.35	4.96	-11.45	1	3	0	41	263.362	2	↓ MOL2 SDF SMILES Flexibase

40233655

Analogs

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Popular Name: [(2S)-2-ethylpyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2S)-2-ethylpyrrolidin-1-yl]-[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)	2.35	5.02	-11.38	1	3	0	41	263.362	2	↓ MOL2 SDF SMILES Flexibase

40233657

Analogs

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Popular Name: [(2R)-2-ethylpyrrolidin-1-yl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(2R)-2-ethylpyrrolidin-1-yl]-[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)	2.62	5.74	-9.77	1	3	0	41	277.389	3	↓ MOL2 SDF SMILES Flexibase

40233659

Analogs

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Popular Name: [(2S)-2-ethylpyrrolidin-1-yl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(2S)-2-ethylpyrrolidin-1-yl]-[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)	2.62	5.8	-9.71	1	3	0	41	277.389	3	↓ MOL2 SDF SMILES Flexibase

50245649

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-2-thienyl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	1.42	4.06	-51.04	3	3	1	48	239.364	3	↓ MOL2 SDF SMILES Flexibase

50245650

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-2-thienyl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	1.42	4.07	-51.09	3	3	1	48	239.364	3	↓ MOL2 SDF SMILES Flexibase

50245660

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(5-ethyl-2-thienyl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	1.38	4.22	-52.21	3	3	1	48	239.364	3	↓ MOL2 SDF SMILES Flexibase

50245661

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-ethyl-2-thienyl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	1.38	4.23	-52.25	3	3	1	48	239.364	3	↓ MOL2 SDF SMILES Flexibase

52917503

Analogs

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Popular Name: (3-ethyl-2-thienyl)-pyrrolidin-1-yl-methanone (3-ethyl-2-thienyl)-pyrrolidin-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.14	-8.28	0	2	0	20	209.314	2	↓ MOL2 SDF SMILES Flexibase

19436740

Analogs

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Popular Name: (2S,4R)-4-methoxy-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-(3-methylthi…

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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)	-0.47	4.19	-64.43	0	5	-1	70	268.314	3	↓ MOL2 SDF SMILES Flexibase

19436742

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-(3-methylthi…

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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)	-0.47	4.18	-62.51	0	5	-1	70	268.314	3	↓ MOL2 SDF SMILES Flexibase

19436744

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-(3-methylthi…

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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)	-0.47	4.2	-62.6	0	5	-1	70	268.314	3	↓ MOL2 SDF SMILES Flexibase

19436746

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-(3-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-(3-methylthi…

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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)	-0.47	4.18	-64.49	0	5	-1	70	268.314	3	↓ MOL2 SDF SMILES Flexibase

13259338

Analogs

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Popular Name: (2S)-1-(4-ethyl-5-methyl-thiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4-ethyl-5-methyl-thiophe…

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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)	0.52	6.65	-64.73	0	4	-1	60	266.342	3	↓ MOL2 SDF SMILES Flexibase

36966226

Analogs

36980520
36980522
42161083
42161085
36884434

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Popular Name: 1-[(5-chlorothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid 1-[(5-chlorothiophen-2-yl)carbon…

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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)	0.26	6.23	-56.88	0	4	-1	60	258.706	2	↓ MOL2 SDF SMILES Flexibase

36966227

Analogs

36980520
36980522
42161083
42161085
36884434

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-chlorothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid 1-[(5-chlorothiophen-2-yl)carbon…

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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)	0.26	6.56	-56.41	0	4	-1	60	258.706	2	↓ MOL2 SDF SMILES Flexibase

36966248

Analogs

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Popular Name: (2R)-1-(5-ethyl-4-methyl-thiophene-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(5-ethyl-4-methyl-thiophe…

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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)	0.63	7.78	-61.96	0	4	-1	60	266.342	3	↓ MOL2 SDF SMILES Flexibase

36966249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(5-ethyl-4-methyl-thiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(5-ethyl-4-methyl-thiophe…

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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)	0.63	8.12	-61.73	0	4	-1	60	266.342	3	↓ MOL2 SDF SMILES Flexibase

36974082

Analogs

9550263
8274416

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Popular Name: (2R)-1-(4-ethyl-5-propyl-thiophene-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(4-ethyl-5-propyl-thiophe…

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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)	1.59	9.27	-61.87	0	4	-1	60	294.396	5	↓ MOL2 SDF SMILES Flexibase

36974084

Analogs

9550263
8274416

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-ethyl-5-propyl-thiophene-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4-ethyl-5-propyl-thiophe…

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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)	1.59	9.61	-61.49	0	4	-1	60	294.396	5	↓ MOL2 SDF SMILES Flexibase

36975846

Analogs

14162481
14162484
14118733

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Popular Name: (2R,4R)-1-(4-ethyl-5-methyl-thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-(4-ethyl-5-methyl-thio…

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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)	-0.40	4.34	-62.99	1	5	-1	81	282.341	3	↓ MOL2 SDF SMILES Flexibase

36975848

Analogs

14162481
14162484
14118733

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-(4-ethyl-5-methyl-thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-(4-ethyl-5-methyl-thio…

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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)	-0.40	4.34	-64.86	1	5	-1	81	282.341	3	↓ MOL2 SDF SMILES Flexibase

36975850

Analogs

14162481
14162484
14118733

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-(4-ethyl-5-methyl-thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-(4-ethyl-5-methyl-thio…

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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)	-0.40	4.69	-64.31	1	5	-1	81	282.341	3	↓ MOL2 SDF SMILES Flexibase

36975852

Analogs

14162481
14162484
14118733

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-(4-ethyl-5-methyl-thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-(4-ethyl-5-methyl-thio…

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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)	-0.40	4.69	-62.54	1	5	-1	81	282.341	3	↓ MOL2 SDF SMILES Flexibase

69055975

Analogs

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Popular Name: isobutyl isobutyl

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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	7.88	-14.83	0	4	0	47	281.377	5	↓ MOL2 SDF SMILES Flexibase

69131789

Analogs

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Popular Name: (2S)-N-pentyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (2S)-N-pentyl-1-(thiophene-2-car…

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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)	2.71	6.07	-17.39	1	4	0	49	294.42	6	↓ MOL2 SDF SMILES Flexibase

69131790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-pentyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (2R)-N-pentyl-1-(thiophene-2-car…

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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)	2.71	6.06	-17.6	1	4	0	49	294.42	6	↓ MOL2 SDF SMILES Flexibase

62912691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(thiophene-2-car…

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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)	1.27	5.5	-50.85	0	4	-1	60	238.288	2	↓ MOL2 SDF SMILES Flexibase

62912692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(thiophene-2-car…

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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)	1.27	5.69	-47.59	0	4	-1	60	238.288	2	↓ MOL2 SDF SMILES Flexibase

62912755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-bromothiophene-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-bromothiophene-2-carbo…

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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)	2.20	6.23	-47.3	0	4	-1	60	317.184	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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