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69988983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]acetic 2-[1-[(1-isopropylpyrazol-3-yl)m…

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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)	1.21	7.51	-57.33	0	6	-1	76	275.332	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.21	7.65	-45.83	1	6	0	77	276.34	5	↓ MOL2 SDF SMILES Flexibase

69989332

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-[(1-isopropylpyrazol-3-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)	1.72	6.99	-43.37	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	5.62	-11.21	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69989334

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.22	7.74	-43.97	2	5	1	52	290.435	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	6.38	-11.05	1	5	0	48	289.427	7	↓ MOL2 SDF SMILES Flexibase

69989336

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.01	7.46	-38.39	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	6.24	-8.93	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase

69990746

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-1-one 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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)	2.18	7.69	-15.49	0	5	0	53	274.368	5	↓ MOL2 SDF SMILES Flexibase

69990747

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(1-isoprop…

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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)	1.78	6.15	-10.58	0	5	0	53	286.257	5	↓ MOL2 SDF SMILES Flexibase

69990749

Analogs

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Popular Name: (1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1S)-1-[1-[(1-isopropylpyrazol-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)	0.15	5.8	-45.45	3	5	1	63	276.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.15	5.45	-12.39	2	5	0	62	275.4	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.15	5.9	-97.22	4	5	2	65	277.416	5	↓ MOL2 SDF SMILES Flexibase

69990750

Analogs

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Popular Name: (1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1R)-1-[1-[(1-isopropylpyrazol-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)	0.15	5.89	-47.36	3	5	1	63	276.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.15	5.58	-11.21	2	5	0	62	275.4	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.15	6	-95.76	4	5	2	65	277.416	5	↓ MOL2 SDF SMILES Flexibase

69990752

Analogs

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Popular Name: (1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1R)-1-[1-[(1-isopropylpyrazol-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)	1.90	6.71	-39.14	2	5	1	52	276.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	5.54	-9.87	1	5	0	48	275.4	5	↓ MOL2 SDF SMILES Flexibase

69990753

Analogs

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Popular Name: (1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1S)-1-[1-[(1-isopropylpyrazol-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)	1.90	6.68	-39.55	2	5	1	52	276.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	6.08	-8.56	1	5	0	48	275.4	5	↓ MOL2 SDF SMILES Flexibase

69990755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine (1S)-N-ethyl-1-[1-[(1-isopropylp…

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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)	2.27	7.57	-40.36	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	6.48	-12.06	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase

69990757

Analogs

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Popular Name: (1R)-N-ethyl-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine (1R)-N-ethyl-1-[1-[(1-isopropylp…

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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)	2.27	7.55	-41.31	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	7.02	-10.93	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase

69990758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-propan-1-amine (1S)-1-[1-[(1-isopropylpyrazol-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)	1.50	7.52	-40.88	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.50	5.83	-11.58	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	7.62	-91.61	3	5	2	54	291.443	6	↓ MOL2 SDF SMILES Flexibase

69990761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-propan-1-amine (1R)-1-[1-[(1-isopropylpyrazol-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)	1.50	7.5	-42.02	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.50	5.94	-11.44	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	7.62	-89.24	3	5	2	54	291.443	6	↓ MOL2 SDF SMILES Flexibase

69990763

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.08	6.99	-39.81	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	5.74	-9.53	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69990765

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.02	7.47	-43.49	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase

69990766

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1-isopropylpyrazol-3-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)	0.88	5.17	-43.48	2	6	1	61	278.38	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.88	3.74	-11.85	1	6	0	57	277.372	8	↓ MOL2 SDF SMILES Flexibase

69990768

Analogs

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Popular Name: N-[(1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine N-[(1S)-1-[1-[(1-isopropylpyrazo…

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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)	2.33	7.3	-41.46	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	6.14	-9.57	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990769

Analogs

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Popular Name: N-[(1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine N-[(1R)-1-[1-[(1-isopropylpyrazo…

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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)	2.33	7.31	-40.35	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.33	6.09	-8.91	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990771

Analogs

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Popular Name: (1S)-N-ethyl-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine (1S)-N-ethyl-1-[1-[(1-isopropylp…

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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)	1.43	7.31	-39.9	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	5.94	-9	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990773

Analogs

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Popular Name: (1R)-N-ethyl-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine (1R)-N-ethyl-1-[1-[(1-isopropylp…

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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)	1.43	7.3	-38.82	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	5.99	-9.75	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990775

Analogs

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Popular Name: (1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-propyl-propan-1-amine (1S)-1-[1-[(1-isopropylpyrazol-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)	1.93	8.07	-40.63	2	5	1	52	290.435	8	↓ MOL2 SDF SMILES Flexibase

69990776

Analogs

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Popular Name: (1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-propyl-propan-1-amine (1R)-1-[1-[(1-isopropylpyrazol-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)	1.93	8.06	-39.53	2	5	1	52	290.435	8	↓ MOL2 SDF SMILES Flexibase

69990778

Analogs

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Popular Name: (1S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-1-ol (1S)-1-[1-[(1-isopropylpyrazol-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)	1.85	5.43	-12.88	1	5	0	56	276.384	5	↓ MOL2 SDF SMILES Flexibase

69990780

Analogs

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Popular Name: (1R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-1-ol (1R)-1-[1-[(1-isopropylpyrazol-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)	1.85	5.52	-12.6	1	5	0	56	276.384	5	↓ MOL2 SDF SMILES Flexibase

69990781

Analogs

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Popular Name: 4-[(1S)-1-chloropropyl]-1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazole 4-[(1S)-1-chloropropyl]-1-[(1-is…

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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)	3.22	8.7	-12.18	0	4	0	36	294.83	5	↓ MOL2 SDF SMILES Flexibase

69990783

Analogs

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Popular Name: 4-[(1R)-1-chloropropyl]-1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazole 4-[(1R)-1-chloropropyl]-1-[(1-is…

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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)	3.22	8.72	-11.82	0	4	0	36	294.83	5	↓ MOL2 SDF SMILES Flexibase

69990784

Analogs

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Popular Name: (2R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-2-amine (2R)-1-[1-[(1-isopropylpyrazol-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)	1.17	5.7	-41.56	3	5	1	63	276.408	5	↓ MOL2 SDF SMILES Flexibase

69990786

Analogs

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Popular Name: (2S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]propan-2-amine (2S)-1-[1-[(1-isopropylpyrazol-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)	1.17	5.7	-42.02	3	5	1	63	276.408	5	↓ MOL2 SDF SMILES Flexibase

69990787

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Popular Name: (2S)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]butan-2-amine (2S)-1-[1-[(1-isopropylpyrazol-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)	1.70	6.58	-43.2	3	5	1	63	290.435	6	↓ MOL2 SDF SMILES Flexibase

69990789

Analogs

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Popular Name: (2R)-1-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]butan-2-amine (2R)-1-[1-[(1-isopropylpyrazol-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)	1.70	6.64	-45.6	3	5	1	63	290.435	6	↓ MOL2 SDF SMILES Flexibase

69990830

Analogs

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Popular Name: 2-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine 2-[1-[(1-isopropylpyrazol-3-yl)m…

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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)	1.74	6.84	-44.84	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase

69990832

Analogs

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Popular Name: N-ethyl-2-[1-[(1-isopropylpyrazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamine N-ethyl-2-[1-[(1-isopropylpyrazo…

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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	7.76	-46.87	2	5	1	52	290.435	7	↓ MOL2 SDF SMILES Flexibase

69990838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-5-methyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.00	7.27	-43.38	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	5.89	-10.3	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-5-methyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	1.79	7	-39.41	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.79	-8.47	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69990843

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-5-methyl-pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.30	7.42	-37.82	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.30	6.19	-8.44	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase

69990845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-5-methyl-pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.24	7.91	-41.67	2	5	1	52	290.435	7	↓ MOL2 SDF SMILES Flexibase

69990848

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-5-methyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1-isopropylpyrazol-3-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)	1.10	5.6	-41.53	2	6	1	61	292.407	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.10	4.18	-10.65	1	6	0	57	291.399	8	↓ MOL2 SDF SMILES Flexibase

69990850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3-methyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.00	7.36	-42.97	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	5.98	-9.98	1	5	0	48	275.4	7	↓ MOL2 SDF SMILES Flexibase

69990851

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3-methyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	1.79	7.08	-40.54	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.88	-10.03	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69990855

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3-methyl-pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.30	7.5	-38.82	2	5	1	52	290.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.30	6.28	-9.9	1	5	0	48	289.427	6	↓ MOL2 SDF SMILES Flexibase

69990856

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3-methyl-pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.24	8	-42.72	2	5	1	52	290.435	7	↓ MOL2 SDF SMILES Flexibase

69990858

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]-3-methyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1-isopropylpyrazol-3-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)	1.10	5.69	-42.55	2	6	1	61	292.407	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.10	4.26	-12.1	1	6	0	57	291.399	8	↓ MOL2 SDF SMILES Flexibase

69990863

Analogs

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Popular Name: N-[[2-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[2-[(1-isopropylpyrazol-3-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)	2.39	6.78	-44.99	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	5.54	-9.45	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69990864

Analogs

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Popular Name: N-[[2-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[2-[(1-isopropylpyrazol-3-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)	2.33	7.82	-35.67	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase

69990866

Analogs

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Popular Name: N-[[2-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methoxy-ethanamine N-[[2-[(1-isopropylpyrazol-3-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)	1.19	4.97	-48.82	2	6	1	61	278.38	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	3.53	-11.31	1	6	0	57	277.372	8	↓ MOL2 SDF SMILES Flexibase

69990869

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.39	6.89	-34.97	2	5	1	52	276.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.39	5.65	-10.52	1	5	0	48	275.4	6	↓ MOL2 SDF SMILES Flexibase

69990870

Analogs

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Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1-isopropylpyrazol-3-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)	2.33	7.38	-38.52	2	5	1	52	276.408	7	↓ MOL2 SDF SMILES Flexibase

69990872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1-isopropylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1-isopropylpyrazol-3-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)	1.19	5.08	-39.13	2	6	1	61	278.38	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	3.64	-13.04	1	6	0	57	277.372	8	↓ MOL2 SDF SMILES Flexibase

69994453

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]pyrazol-4-amine 1-[[1-(1-ethylpropyl)pyrazol-3-y…

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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)	1.82	4.7	-9.55	2	5	0	62	233.319	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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