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

Analogs

41545597
41545597
41545582
41545582
41545585
41545585
41545588
41545588

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

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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) 2.56 5.8 -18.86 2 7 0 93 372.45 3 ↓
Hi High (pH 8-9.5) 2.75 4.54 -49.42 1 7 -1 100 371.442 3 ↓

Analogs

41545582
41545582
41545585
41545585
41545588
41545588

Draw Identity 99% 90% 80% 70%

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

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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) 2.56 7.29 -20.32 2 7 0 93 372.45 3 ↓
Hi High (pH 8-9.5) 2.75 4.53 -60.09 1 7 -1 100 371.442 3 ↓

Analogs

41547229
41547229
41547213
41547213
41547216
41547216
41547220
41547220

Draw Identity 99% 90% 80% 70%

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

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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) 2.98 7.98 -19.88 2 7 0 93 386.477 3 ↓
Hi High (pH 8-9.5) 3.17 5.21 -59.46 1 7 -1 100 385.469 3 ↓

Analogs

41547213
41547213
41547216
41547216
41547220
41547220

Draw Identity 99% 90% 80% 70%

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

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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) 2.98 6.49 -18.59 2 7 0 93 386.477 3 ↓
Hi High (pH 8-9.5) 3.17 5.22 -49.38 1 7 -1 100 385.469 3 ↓

Analogs

41548782
41548782
41548772
41548772
41548774
41548774
41548776
41548776

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-(5-cyclohexyl-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) 3.21 6.33 -18.12 2 7 0 93 406.895 3 ↓
Hi High (pH 8-9.5) 3.40 5.06 -45.51 1 7 -1 100 405.887 3 ↓

Analogs

41548772
41548772
41548774
41548774
41548776
41548776

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-(5-cyclohexyl-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) 3.21 7.82 -19.54 2 7 0 93 406.895 3 ↓
Hi High (pH 8-9.5) 3.40 5.06 -55.42 1 7 -1 100 405.887 3 ↓

Parameters Provided:

ring.id = 546887
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 = 546887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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