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

Analogs

37814616
37814616
37814617
37814617

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-N-(2-hydroxye…

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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) 0.74 2.67 -13.55 2 5 0 62 262.309 4 ↓

Analogs

37814616
37814616
37814617
37814617

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-N-(2-hydroxye…

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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) 0.74 2.57 -13.36 2 5 0 62 262.309 4 ↓

Analogs

37806701
37806701
37806702
37806702
37810300
37810300
37810301
37810301
19423278
19423278

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-N-ethyl-3,4-d…

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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) 1.75 5.96 -12.08 1 4 0 42 246.31 3 ↓

Analogs

37806701
37806701
37806702
37806702
37810300
37810300
37810301
37810301
19423278
19423278

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-N-ethyl-3,4-d…

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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) 1.75 5.82 -11.72 1 4 0 42 246.31 3 ↓

Analogs

37806701
37806701
37806702
37806702
19423278
19423278

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-N-methyl-3,4-…

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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) 1.37 4.98 -12.09 1 4 0 42 232.283 2 ↓

Analogs

37806701
37806701
37806702
37806702
37810300
37810300
37810301
37810301
19423278
19423278

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-N-methyl-3,4-…

Find On: PubMed — Wikipedia — Google

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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) 1.37 5.06 -13.29 1 4 0 42 232.283 2 ↓

Analogs

37806701
37806701
37806702
37806702
37810300
37810300
37810301
37810301

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-N-propyl-3,4-…

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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) 2.25 6.72 -11.63 1 4 0 42 260.337 4 ↓

Analogs

37806701
37806701
37806702
37806702
37807011
37807011
37807012
37807012
37810300
37810300

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-N-propyl-3,4-…

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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) 2.25 6.55 -11.09 1 4 0 42 260.337 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-4-ethylsulfon…

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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) 1.12 3.81 -14.46 1 6 0 76 310.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-4-ethylsulfon…

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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) 1.12 3.82 -14.45 1 6 0 76 310.375 4 ↓

Analogs

36136843
36136843
36136845
36136845

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclopropyl-N-(2-methoxye…

Find On: PubMed — Wikipedia — Google

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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) 1.35 5.36 -14.21 1 5 0 51 276.336 5 ↓

Analogs

36136843
36136843
36136845
36136845

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-(2-methoxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclopropyl-N-(2-methoxye…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.35 4.98 -9.47 1 5 0 51 276.336 5 ↓

Parameters Provided:

ring.id = 65977
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 = 65977 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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