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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41545798
41545798
41545801
41545801
41545803
41545803
36999171
36999171
36999172
36999172

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Popular Name: (2S)-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2S)-N-[(1R)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.03 -18.69 2 7 0 85 356.426 5 ↓

Analogs

41545801
41545801
41545803
41545803
36999171
36999171
36999172
36999172
36999173
36999173

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2R)-N-[(1R)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.45 -20.27 2 7 0 85 356.426 5 ↓

Analogs

41545803
41545803
36999171
36999171
36999172
36999172
36999173
36999173
36999174
36999174

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2S)-N-[(1S)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.34 -15.35 2 7 0 85 356.426 5 ↓

Analogs

36999171
36999171
36999172
36999172
36999173
36999173
36999174
36999174
41545795
41545795

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Popular Name: (2R)-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxam (2R)-N-[(1S)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.94 -16.28 2 7 0 85 356.426 5 ↓

Analogs

41545809
41545809

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 5.56 -17.77 2 7 0 85 362.817 4 ↓

Analogs

41545806
41545806

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 4.03 -17.29 2 7 0 85 362.817 4 ↓

Analogs

41547420
41547420
41547423
41547423
41547426
41547426

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carb (2R)-N-[(1R)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7.14 -19.98 2 7 0 85 370.453 5 ↓

Analogs

41547423
41547423
41547426
41547426
41547417
41547417

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carb (2S)-N-[(1R)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 5.7 -18.35 2 7 0 85 370.453 5 ↓

Analogs

41547426
41547426
41547417
41547417
41547420
41547420

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carb (2R)-N-[(1S)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 7.63 -15.85 2 7 0 85 370.453 5 ↓

Analogs

41547417
41547417
41547420
41547420
41547423
41547423

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carb (2S)-N-[(1S)-2,2-dimethyl-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 6.02 -15.06 2 7 0 85 370.453 5 ↓

Analogs

41547432
41547432

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2R)-N-[2-(4-chloro-3,5-dimethyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 6.24 -18.31 2 7 0 85 376.844 4 ↓

Analogs

41547429
41547429

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2S)-N-[2-(4-chloro-3,5-dimethyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 4.7 -17.39 2 7 0 85 376.844 4 ↓

Analogs

41548994
41548994
41548996
41548996
41548998
41548998

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2 (2S)-6-chloro-N-[(1R)-2,2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 5.57 -17.93 2 7 0 85 390.871 5 ↓

Analogs

41548996
41548996
41548998
41548998
41548992
41548992

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(1R)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2 (2R)-6-chloro-N-[(1R)-2,2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 6.99 -19.37 2 7 0 85 390.871 5 ↓

Analogs

41548998
41548998
41548992
41548992
41548994
41548994

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2 (2S)-6-chloro-N-[(1S)-2,2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 5.85 -13.8 2 7 0 85 390.871 5 ↓

Analogs

41548992
41548992
41548994
41548994
41548996
41548996

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(1S)-2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2 (2R)-6-chloro-N-[(1S)-2,2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 7.48 -14.91 2 7 0 85 390.871 5 ↓

Analogs

41549002
41549002

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 3 -17.86 2 7 0 85 334.763 4 ↓

Analogs

41549000
41549000

Draw Identity 99% 90% 80% 70%

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 4.53 -18.45 2 7 0 85 334.763 4 ↓

Analogs

41549006
41549006

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 3.51 -17.56 2 7 0 85 369.208 4 ↓

Analogs

41549004
41549004

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 5.04 -18.02 2 7 0 85 369.208 4 ↓

Analogs

41549010
41549010

Draw Identity 99% 90% 80% 70%

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 6.09 -17.3 2 7 0 85 397.262 4 ↓

Analogs

41549008
41549008

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 4.54 -16.95 2 7 0 85 397.262 4 ↓

Analogs

41549014
41549014

Draw Identity 99% 90% 80% 70%

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 5.59 -17.64 2 7 0 85 362.817 4 ↓

Analogs

41549012
41549012

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 4.06 -17.12 2 7 0 85 362.817 4 ↓

Parameters Provided:

ring.id = 546914
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 546914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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