ZINC 12

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)	1.54	6.04	-15.13	2	7	0	85	314.345	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	3.26	-55.46	1	7	-1	92	313.337	3	↓ MOL2 SDF SMILES Flexibase

41545132

Analogs

41545129

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Popular Name: (2R)-N-(2-isopropylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-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)	1.54	4.63	-13.99	2	7	0	85	314.345	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	3.25	-45.41	1	7	-1	92	313.337	3	↓ MOL2 SDF SMILES Flexibase

41545702

Analogs

41545705

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Popular Name: (2S)-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,5-dimethylpyrazol-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)	1.02	5.02	-15.97	2	7	0	85	300.318	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	2.18	-55.56	1	7	-1	92	299.31	2	↓ MOL2 SDF SMILES Flexibase

41545705

Analogs

41545702

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,5-dimethylpyrazol-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)	1.02	3.62	-14.81	2	7	0	85	300.318	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.20	2.19	-45.69	1	7	-1	92	299.31	2	↓ MOL2 SDF SMILES Flexibase

41545708

Analogs

41545711

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Popular Name: (2S)-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-ethyl-5-methyl-pyrazol…

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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)	1.39	5.89	-15.84	2	7	0	85	314.345	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.58	3.05	-56.23	1	7	-1	92	313.337	3	↓ MOL2 SDF SMILES Flexibase

41545711

Analogs

41545708

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-ethyl-5-methyl-pyrazol…

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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)	1.39	4.49	-14.62	2	7	0	85	314.345	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.58	3.05	-46.21	1	7	-1	92	313.337	3	↓ MOL2 SDF SMILES Flexibase

41546140

Analogs

41546143

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Popular Name: (2S)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-isopropyl-5-methyl-pyr…

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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	6.62	-15.64	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	3.84	-57.11	1	7	-1	92	327.364	3	↓ MOL2 SDF SMILES Flexibase

41546143

Analogs

41546140

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-isopropyl-5-methyl-pyr…

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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	5.22	-14.41	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	3.85	-46.92	1	7	-1	92	327.364	3	↓ MOL2 SDF SMILES Flexibase

41546265

Analogs

41546268

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Popular Name: (2S)-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-N-(5-methyl-2-prop…

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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	6.66	-15.48	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	3.8	-56.3	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546268

Analogs

41546265

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-N-(5-methyl-2-prop…

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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	5.25	-14.14	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	3.82	-46.41	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546301

Analogs

41546304
41546320
41546323
41546326
41546330

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[2-(1-ethylpropyl)pyrazol…

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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)	2.54	7.78	-15.25	2	7	0	85	342.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.73	5.02	-56.45	1	7	-1	92	341.391	5	↓ MOL2 SDF SMILES Flexibase

41546304

Analogs

41546320
41546323
41546326
41546330
41546301

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[2-(1-ethylpropyl)pyrazol…

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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)	2.54	6.37	-14.14	2	7	0	85	342.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.73	5.05	-46.31	1	7	-1	92	341.391	5	↓ MOL2 SDF SMILES Flexibase

41546320

Analogs

41546323
41546326
41546330
41546301
41546304

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-N-[2-[(1R)-1-methy…

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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)	2.04	6.65	-14.85	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	3.87	-55.72	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546323

Analogs

41546326
41546330
41546301
41546304
41546320

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-N-[2-[(1S)-1-methy…

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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)	2.04	6.65	-14.9	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	3.87	-55.62	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546326

Analogs

41546330
41546301
41546304
41546320

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-N-[2-[(1R)-1-methy…

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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)	2.04	5.25	-13.69	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	3.88	-45.65	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546330

Analogs

41546301
41546304
41546320

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-N-[2-[(1S)-1-methy…

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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)	2.04	5.25	-13.67	2	7	0	85	328.372	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.22	3.89	-45.69	1	7	-1	92	327.364	4	↓ MOL2 SDF SMILES Flexibase

41546919

Analogs

41546923

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Popular Name: (2S)-N-(2-isopropylpyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-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)	1.96	6.72	-14.79	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase

41546923

Analogs

41546919

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-isopropylpyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-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)	1.96	5.31	-13.71	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase

41547328

Analogs

41547331

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,5-dimethylpyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,5-dimethylpyrazol-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)	1.44	5.71	-15.54	2	7	0	85	314.345	2	↓ MOL2 SDF SMILES Flexibase

41547331

Analogs

41547328

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,5-dimethylpyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,5-dimethylpyrazol-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)	1.44	4.29	-14.57	2	7	0	85	314.345	2	↓ MOL2 SDF SMILES Flexibase

41547334

Analogs

41547337

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-ethyl-5-methyl-pyrazol…

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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	6.55	-15.43	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase

41547337

Analogs

41547334

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-ethyl-5-methyl-pyrazol…

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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	5.16	-14.3	2	7	0	85	328.372	3	↓ MOL2 SDF SMILES Flexibase

41547764

Analogs

41547767

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-isopropyl-5-methyl-pyr…

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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	7.32	-15.2	2	7	0	85	342.399	3	↓ MOL2 SDF SMILES Flexibase

41547767

Analogs

41547764

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-isopropyl-5-methyl-pyr…

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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	5.9	-14.07	2	7	0	85	342.399	3	↓ MOL2 SDF SMILES Flexibase

41547885

Analogs

41547888

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-N-(5-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	7.31	-15.05	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41547888

Analogs

41547885

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-N-(5-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	5.92	-13.94	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41547924

Analogs

41547927
41547943
41547946
41547948
41547951

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[2-(1-ethylpropyl)pyrazol…

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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)	2.97	8.45	-14.85	2	7	0	85	356.426	5	↓ MOL2 SDF SMILES Flexibase

41547927

Analogs

41547943
41547946
41547948
41547951
41547924

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[2-(1-ethylpropyl)pyrazol…

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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)	2.97	7.04	-13.86	2	7	0	85	356.426	5	↓ MOL2 SDF SMILES Flexibase

41547943

Analogs

41547946
41547948
41547951
41547924
41547927

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-N-[2-[(1R)-1-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)	2.46	7.33	-14.48	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41547946

Analogs

41547948
41547951
41547924
41547927
41547943

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-N-[2-[(1S)-1-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)	2.46	7.32	-14.52	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41547948

Analogs

41547951
41547924
41547927
41547943

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-N-[2-[(1R)-1-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)	2.46	5.92	-13.4	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41547951

Analogs

41547924
41547927
41547943

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-N-[2-[(1S)-1-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)	2.46	5.92	-13.44	2	7	0	85	342.399	4	↓ MOL2 SDF SMILES Flexibase

41548924

Analogs

41548926

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(2,5-dimethylpyr…

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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)	1.67	5.55	-15.4	2	7	0	85	334.763	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.86	2.7	-50.91	1	7	-1	92	333.755	2	↓ MOL2 SDF SMILES Flexibase

41548926

Analogs

41548924

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(2,5-dimethylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(2,5-dimethylpyr…

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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)	1.67	4.13	-14.41	2	7	0	85	334.763	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.86	2.71	-41.68	1	7	-1	92	333.755	2	↓ MOL2 SDF SMILES Flexibase

41548928

Analogs

41548930

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(2-ethyl-5-methy…

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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)	2.05	6.42	-15.26	2	7	0	85	348.79	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	3.57	-51.44	1	7	-1	92	347.782	3	↓ MOL2 SDF SMILES Flexibase

41548930

Analogs

41548928

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(2-ethyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(2-ethyl-5-methy…

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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)	2.05	5	-14.12	2	7	0	85	348.79	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	3.57	-42.16	1	7	-1	92	347.782	3	↓ MOL2 SDF SMILES Flexibase

41549286

Analogs

41549288

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(2-isopropyl-5-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)	2.41	7.15	-15.04	2	7	0	85	362.817	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.60	4.36	-52.36	1	7	-1	92	361.809	3	↓ MOL2 SDF SMILES Flexibase

41549288

Analogs

41549286

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(2-isopropyl-5-methyl-pyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(2-isopropyl-5-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)	2.41	5.74	-13.95	2	7	0	85	362.817	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.60	4.37	-42.84	1	7	-1	92	361.809	3	↓ MOL2 SDF SMILES Flexibase

41549396

Analogs

41549398

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-2-methyl-N-(5-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)	2.55	7.17	-14.92	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	4.33	-51.56	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

41549398

Analogs

41549396

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-(5-methyl-2-propyl-pyrazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-2-methyl-N-(5-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)	2.55	5.76	-13.75	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	4.33	-42.38	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

41549428

Analogs

41549430
41549440
41549442
41549444
41549445

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-[2-(1-ethylpropy…

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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)	3.19	8.3	-14.63	2	7	0	85	376.844	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.38	5.3	-51.51	1	7	-1	92	375.836	5	↓ MOL2 SDF SMILES Flexibase

41549430

Analogs

41549440
41549442
41549444
41549445
41549428

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[2-(1-ethylpropyl)pyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-[2-(1-ethylpropy…

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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)	3.19	6.89	-13.75	2	7	0	85	376.844	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.38	5.3	-41.97	1	7	-1	92	375.836	5	↓ MOL2 SDF SMILES Flexibase

41549440

Analogs

41549442
41549444
41549445
41549428
41549430

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-6-chloro-2-methyl-N-[2-[(1R…

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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)	2.69	7.17	-14.25	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	4.41	-51	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

41549442

Analogs

41549444
41549445
41549428
41549430
41549440

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-6-chloro-2-methyl-N-[2-[(1S…

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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)	2.69	7.18	-14.33	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	4.41	-50.96	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

41549444

Analogs

41549445
41549428
41549430
41549440

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-[2-[(1R)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-6-chloro-2-methyl-N-[2-[(1R…

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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)	2.69	5.77	-13.27	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	4.4	-41.62	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

41549445

Analogs

41549428
41549430
41549440

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-6-chloro-2-methyl-N-[2-[(1S…

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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)	2.69	5.76	-13.26	2	7	0	85	362.817	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.88	4.41	-41.74	1	7	-1	92	361.809	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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