UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44866283
44866283
44866287
44866287
32983170
32983170
34868189
34868189
34868188
34868188

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Popular Name: (2R)-4-[(1S,2R)-2-methylcyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(1S,2R)-2-methylcyclopro…

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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) 1.94 7.84 -45.13 0 5 -1 70 260.269 2 ↓

Analogs

44866283
44866283
44866287
44866287
32983170
32983170
34868189
34868189
34868188
34868188

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(1S,2S)-2-methylcyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(1S,2S)-2-methylcyclopro…

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) 1.94 7.81 -45.24 0 5 -1 70 260.269 2 ↓

Analogs

44866283
44866283
44866287
44866287
32983170
32983170
34868189
34868189
34868188
34868188

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(1R,2R)-2-methylcyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(1R,2R)-2-methylcyclopro…

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) 1.94 7.8 -45.26 0 5 -1 70 260.269 2 ↓

Analogs

44866283
44866283
44866287
44866287
32983170
32983170
34868189
34868189
34868188
34868188

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(1R,2S)-2-methylcyclopropanecarbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic (2R)-4-[(1R,2S)-2-methylcyclopro…

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) 1.94 7.83 -45.05 0 5 -1 70 260.269 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone cyclopropyl-(6-methyl-2,3-dihydr…

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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) 2.53 6.48 -10.6 0 3 0 30 217.268 1 ↓

Parameters Provided:

ring.id = 26437
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 = 26437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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