UCSF
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Analogs

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Popular Name: (7Z)-3-cyclopropyl-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin- (7Z)-3-cyclopropyl-9-methyl-7-[(…

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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) 3.81 9.7 -10.72 0 5 0 48 386.451 2 ↓
Mid Mid (pH 6-8) 3.81 12.66 -45.3 1 5 1 49 387.459 2 ↓

Analogs

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Popular Name: (7Z)-3-cyclopropyl-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6 (7Z)-3-cyclopropyl-7-[(1-ethylin…

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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) 4.18 10.6 -10.27 0 5 0 48 400.478 3 ↓
Mid Mid (pH 6-8) 4.18 13.58 -45.03 1 5 1 49 401.486 3 ↓

Analogs

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Popular Name: (7Z)-3-cyclopropyl-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-cyclopropyl-7-[(5-methoxy…

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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) 3.84 8.99 -12.67 0 6 0 57 416.477 3 ↓
Mid Mid (pH 6-8) 3.84 11.96 -47.16 1 6 1 58 417.485 3 ↓

Analogs

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Popular Name: (7Z)-3-cyclopropyl-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-3-cyclopropyl-7-[(1-ethyl-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) 4.22 9.9 -12.21 0 6 0 57 430.504 4 ↓
Mid Mid (pH 6-8) 4.22 12.87 -46.86 1 6 1 58 431.512 4 ↓

Parameters Provided:

ring.id = 551076
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 = 551076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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