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ZINC Item

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2803019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1R)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5R)-5-tert-butyl-N-[(1R)-1-(1-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)	3.52	2.12	-10.25	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2803020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5R)-5-tert-butyl-N-[(1S)-1-(1-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)	3.52	2.14	-10.21	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2803021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1R)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5S)-5-tert-butyl-N-[(1R)-1-(1-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)	3.52	2.11	-10.24	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2803022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1S)-1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5S)-5-tert-butyl-N-[(1S)-1-(1-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)	3.52	2.14	-10.2	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2803672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazen (5R)-5-tert-butyl-N-[(1-ethyl-3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	3.48	-10.39	0	6	0	64	372.513	5	↓ MOL2 SDF SMILES Flexibase

2803673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazen (5S)-5-tert-butyl-N-[(1-ethyl-3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	3.48	-9.79	0	6	0	64	372.513	5	↓ MOL2 SDF SMILES Flexibase

2804048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1R)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5R)-5-tert-butyl-N-[(1R)-1-(1-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)	3.52	2.05	-10.33	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2804049

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5R)-5-tert-butyl-N-[(1S)-1-(1-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)	3.52	2.08	-10.37	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2804050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1R)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5S)-5-tert-butyl-N-[(1R)-1-(1-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)	3.52	2.02	-10.26	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2804051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1S)-1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-car (5S)-5-tert-butyl-N-[(1S)-1-(1-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)	3.52	2.08	-10.35	1	6	0	72	358.486	5	↓ MOL2 SDF SMILES Flexibase

2804063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1-ethylpyr…

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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)	2.74	1.35	-10.06	1	6	0	72	330.432	5	↓ MOL2 SDF SMILES Flexibase

2804064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1-ethylpyr…

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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)	2.74	1.35	-10.14	1	6	0	72	330.432	5	↓ MOL2 SDF SMILES Flexibase

2804079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxami (5R)-5-tert-butyl-N-[(1-ethyl-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)	2.96	1.35	-9.75	1	6	0	72	344.459	5	↓ MOL2 SDF SMILES Flexibase

2804080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxami (5S)-5-tert-butyl-N-[(1-ethyl-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)	2.96	1.33	-9.79	1	6	0	72	344.459	5	↓ MOL2 SDF SMILES Flexibase

2804095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxami (5R)-5-tert-butyl-N-[(1-ethyl-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)	2.96	1.42	-10.19	1	6	0	72	344.459	5	↓ MOL2 SDF SMILES Flexibase

2804096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxami (5S)-5-tert-butyl-N-[(1-ethyl-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)	2.96	1.42	-10.16	1	6	0	72	344.459	5	↓ MOL2 SDF SMILES Flexibase

2804161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1-methylpy…

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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)	2.36	1.29	-10.25	1	6	0	72	316.405	4	↓ MOL2 SDF SMILES Flexibase

2804162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1-methylpy…

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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)	2.36	1.29	-10.24	1	6	0	72	316.405	4	↓ MOL2 SDF SMILES Flexibase

2804182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[(1-ethyl-5-methyl-pyrazo…

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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)	1.63	0.41	-9.91	1	6	0	72	302.378	4	↓ MOL2 SDF SMILES Flexibase

2804183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[(1-ethyl-5-methyl-pyrazo…

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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)	1.63	0.44	-9.9	1	6	0	72	302.378	4	↓ MOL2 SDF SMILES Flexibase

2804186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1,5-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	1.25	-10.11	1	6	0	72	330.432	4	↓ MOL2 SDF SMILES Flexibase

2804187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1,5-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	1.25	-10.06	1	6	0	72	330.432	4	↓ MOL2 SDF SMILES Flexibase

2804213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1,3-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	1.37	-10.42	1	6	0	72	330.432	4	↓ MOL2 SDF SMILES Flexibase

2804214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1,3-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	1.37	-10.45	1	6	0	72	330.432	4	↓ MOL2 SDF SMILES Flexibase

2804275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-methyl-N-[(1-methylpyrazo…

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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	0.37	-10.36	1	6	0	72	274.324	3	↓ MOL2 SDF SMILES Flexibase

2804276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-methyl-N-[(1-methylpyrazo…

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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	0.37	-10.34	1	6	0	72	274.324	3	↓ MOL2 SDF SMILES Flexibase

2804316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-N-[(1,3-dimethylpyrazol-4-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)	1.25	0.45	-10.54	1	6	0	72	288.351	3	↓ MOL2 SDF SMILES Flexibase

2804317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-N-[(1,3-dimethylpyrazol-4-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)	1.25	0.46	-10.54	1	6	0	72	288.351	3	↓ MOL2 SDF SMILES Flexibase

2805489

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxam (5R)-5-tert-butyl-N-[(1R)-1-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	2.07	-10.39	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2805490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxam (5R)-5-tert-butyl-N-[(1S)-1-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	2.08	-10.4	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2805491

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxam (5S)-5-tert-butyl-N-[(1R)-1-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	2.06	-10.43	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2805492

Analogs

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Popular Name: (5S)-5-tert-butyl-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxam (5S)-5-tert-butyl-N-[(1S)-1-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	2.08	-10.38	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2806378

Analogs

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Popular Name: (5R)-5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5R)-5-tert-butyl-N-[(1,3,5-trim…

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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)	2.80	1.35	-10.27	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2806379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide (5S)-5-tert-butyl-N-[(1,3,5-trim…

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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)	2.80	1.35	-10.34	1	6	0	72	344.459	4	↓ MOL2 SDF SMILES Flexibase

2806393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazene-3-carbo (5R)-5-tert-butyl-N-[(1,5-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	3.32	-13.08	0	6	0	64	344.459	4	↓ MOL2 SDF SMILES Flexibase

2806394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydroindoxazene-3-carbo (5S)-5-tert-butyl-N-[(1,5-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	3.96	-12.82	0	6	0	64	344.459	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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