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ZINC Item

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24985857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethyl)-4-isopropoxy-5-methoxy-benzamide 3-chloro-N-(6,7-dihydro-5H-pyrro…

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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	7.39	-15.56	1	7	0	78	364.833	6	↓ MOL2 SDF SMILES Flexibase

54834116

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-ethoxy-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	0.98	6.34	-16.89	1	6	0	69	286.335	5	↓ MOL2 SDF SMILES Flexibase

58341811

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-hydroxy-5-isopropyl-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	2.55	6.58	-15.53	2	6	0	80	300.362	4	↓ MOL2 SDF SMILES Flexibase

58537926

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-isopentyloxy-3-methoxy-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	1.87	8.35	-16.97	1	7	0	78	358.442	8	↓ MOL2 SDF SMILES Flexibase

62822775

Analogs

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Popular Name: 2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-fluoro-N-methyl-benzamide 2-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	-0.08	6.07	-12.66	2	6	0	77	289.314	3	↓ MOL2 SDF SMILES Flexibase

62823167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-fluoro-benzamide 2-amino-N-[(1S)-1-(6,7-dihydro-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)	0.71	5.11	-11.59	3	6	0	86	289.314	3	↓ MOL2 SDF SMILES Flexibase

62823168

Analogs

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Popular Name: 2-amino-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-fluoro-benzamide 2-amino-N-[(1R)-1-(6,7-dihydro-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)	0.71	5.1	-11.61	3	6	0	86	289.314	3	↓ MOL2 SDF SMILES Flexibase

62823169

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide 2-amino-4-chloro-N-[(1S)-1-(6,7-…

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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)	1.22	5.56	-11.29	3	6	0	86	305.769	3	↓ MOL2 SDF SMILES Flexibase

62823170

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide 2-amino-4-chloro-N-[(1R)-1-(6,7-…

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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)	1.22	5.55	-11.37	3	6	0	86	305.769	3	↓ MOL2 SDF SMILES Flexibase

63010142

Analogs

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Popular Name: 4-amino-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-fluoro-benzamide 4-amino-N-[(1S)-1-(6,7-dihydro-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)	0.71	4.81	-14.38	3	6	0	86	289.314	3	↓ MOL2 SDF SMILES Flexibase

63010143

Analogs

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Popular Name: 4-amino-N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-fluoro-benzamide 4-amino-N-[(1R)-1-(6,7-dihydro-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)	0.71	4.81	-14.31	3	6	0	86	289.314	3	↓ MOL2 SDF SMILES Flexibase

69571512

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-[ethyl(propyl)amino]benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	1.93	9.17	-15.13	1	6	0	63	327.432	7	↓ MOL2 SDF SMILES Flexibase

55568906

Analogs

37818494
37832808

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-[(dipropylamino)methyl]benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	2.13	10.87	-50.62	2	6	1	64	356.494	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	8.8	-14.12	1	6	0	63	355.486	9	↓ MOL2 SDF SMILES Flexibase

65554268

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(R)-ethylsulfinyl]-N-methyl-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	-0.49	8.82	-32.67	0	6	0	68	332.429	5	↓ MOL2 SDF SMILES Flexibase

65554271

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(S)-ethylsulfinyl]-N-methyl-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	-0.49	7.39	-24.38	0	6	0	68	332.429	5	↓ MOL2 SDF SMILES Flexibase

65566960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	0.35	7.89	-13.49	0	5	0	51	256.309	3	↓ MOL2 SDF SMILES Flexibase

66966135

Analogs

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Popular Name: N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methylsulfonyl-benzamide N-[(1S)-1-(6,7-dihydro-5H-pyrrol…

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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)	0.00	4.37	-20.35	1	7	0	94	334.401	4	↓ MOL2 SDF SMILES Flexibase

66966139

Analogs

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Popular Name: N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methylsulfonyl-benzamide N-[(1R)-1-(6,7-dihydro-5H-pyrrol…

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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)	0.00	4.37	-20.43	1	7	0	94	334.401	4	↓ MOL2 SDF SMILES Flexibase

66966322

Analogs

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Popular Name: N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide N-[(1S)-1-(6,7-dihydro-5H-pyrrol…

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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)	1.13	6.83	-13.18	1	5	0	60	256.309	3	↓ MOL2 SDF SMILES Flexibase

66966326

Analogs

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Popular Name: N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide N-[(1R)-1-(6,7-dihydro-5H-pyrrol…

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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)	1.13	6.83	-13.17	1	5	0	60	256.309	3	↓ MOL2 SDF SMILES Flexibase

65588047

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-[ethyl(isopropyl)amino]-N-methyl-benzam N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	1.50	10.46	-24.37	0	6	0	54	341.459	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	10.75	-41.97	1	6	0	55	342.467	6	↓ MOL2 SDF SMILES Flexibase

65591363

Analogs

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Popular Name: 4-(acetamidomethyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 4-(acetamidomethyl)-N-(6,7-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)	-0.73	6.93	-27.95	1	7	0	80	327.388	5	↓ MOL2 SDF SMILES Flexibase

37818486

Analogs

37004850
37004851

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Popular Name: 2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-fluoro-N-methyl-benzamide 2-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	-0.08	6.07	-12.64	2	6	0	77	289.314	3	↓ MOL2 SDF SMILES Flexibase

37818494

Analogs

55568906
11120897
15545057
12786713
12978320

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 4-(aminomethyl)-N-(6,7-dihydro-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)	-0.47	5.93	-59.98	3	6	1	79	286.359	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.47	5.53	-13.38	2	6	0	77	285.351	4	↓ MOL2 SDF SMILES Flexibase

37818496

Analogs

40817134
40817135
40817136
37004884
37004883

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 3-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	-0.60	5.76	-14.13	2	6	0	77	271.324	3	↓ MOL2 SDF SMILES Flexibase

37818497

Analogs

40817134
40817135
40817136
12548952
11120785

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 4-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	-0.58	5.77	-14.34	2	6	0	77	271.324	3	↓ MOL2 SDF SMILES Flexibase

37818504

Analogs

40481302
40817134
40817135
37004899
37004900

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Popular Name: 3-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,4-dimethyl-benzamide 3-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	0.21	6.55	-24.33	2	6	0	77	285.351	3	↓ MOL2 SDF SMILES Flexibase

37818512

Analogs

37004921
37004922

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Popular Name: 3-amino-4-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 3-amino-4-chloro-N-(6,7-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)	0.44	6.36	-13.15	2	6	0	77	305.769	3	↓ MOL2 SDF SMILES Flexibase

37818521

Analogs

40817134
40817136
37004946
37004945
12548952

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethyl-benzamide 4-amino-N-(6,7-dihydro-5H-pyrrol…

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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)	0.21	6.55	-24.95	2	6	0	77	285.351	3	↓ MOL2 SDF SMILES Flexibase

37832808

Analogs

55568906
11120897
37001520
37001521
15545057

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 4-(chloromethyl)-N-(6,7-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)	0.92	9.18	-14.14	0	5	0	51	304.781	4	↓ MOL2 SDF SMILES Flexibase

37832809

Analogs

37001524
37001525
15520162
15525217

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Popular Name: 3-(chloromethyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-benzamide 3-(chloromethyl)-N-(6,7-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)	0.90	9.17	-14.45	0	5	0	51	304.781	4	↓ MOL2 SDF SMILES Flexibase

42032773

Analogs

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Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-2-(methylamino)benzamide N-(6,7-dihydro-5H-pyrrolo[2,1-c]…

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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)	0.16	6.96	-20.85	1	6	0	63	285.351	4	↓ MOL2 SDF SMILES Flexibase

42033534

Analogs

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Popular Name: N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)benzamide N-[(1S)-1-(6,7-dihydro-5H-pyrrol…

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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)	0.94	6	-12.65	2	6	0	72	285.351	4	↓ MOL2 SDF SMILES Flexibase

42033536

Analogs

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Popular Name: N-[(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)benzamide N-[(1R)-1-(6,7-dihydro-5H-pyrrol…

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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)	0.94	6	-12.65	2	6	0	72	285.351	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 129790
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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