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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

41545579
41545579
36352569
36352569

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

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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) 1.02 4.11 -19.67 2 7 0 93 330.369 3 ↓
Hi High (pH 8-9.5) 1.21 2.85 -50.27 1 7 -1 100 329.361 3 ↓

Analogs

36352569
36352569
41545576
41545576

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

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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) 1.02 5.6 -21.18 2 7 0 93 330.369 3 ↓
Hi High (pH 8-9.5) 1.21 2.84 -60.96 1 7 -1 100 329.361 3 ↓

Analogs

41547210
41547210

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Popular Name: (2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-cyclopropyl-1,3,4-thia…

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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) 1.44 6.29 -20.79 2 7 0 93 344.396 3 ↓
Hi High (pH 8-9.5) 1.63 3.52 -60.29 1 7 -1 100 343.388 3 ↓

Analogs

41547207
41547207

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Popular Name: (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-cyclopropyl-1,3,4-thia…

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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) 1.44 4.8 -19.34 2 7 0 93 344.396 3 ↓
Hi High (pH 8-9.5) 1.63 3.53 -50.29 1 7 -1 100 343.388 3 ↓

Analogs

41548770
41548770

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Popular Name: (2R)-6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2R)-6-chloro-N-(5-cyclopropyl-1…

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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) 1.67 4.64 -19.03 2 7 0 93 364.814 3 ↓
Hi High (pH 8-9.5) 1.86 3.37 -46.25 1 7 -1 100 363.806 3 ↓

Analogs

41548768
41548768

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamid (2S)-6-chloro-N-(5-cyclopropyl-1…

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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) 1.67 6.13 -20.44 2 7 0 93 364.814 3 ↓
Hi High (pH 8-9.5) 1.86 3.38 -56.21 1 7 -1 100 363.806 3 ↓

Parameters Provided:

ring.id = 546883
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 546883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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