UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20567690
20567690
20648330
20648330
22935525
22935525
22935673
22935673

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Popular Name: 9-(2-morpholinoethyl)-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(2-morpholinoethyl)-4-(2-oxoch…

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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) 3.23 7.42 -15.82 0 8 0 85 460.486 4 ↓
Mid Mid (pH 6-8) 3.23 9.7 -50.98 1 8 1 87 461.494 4 ↓
Lo Low (pH 4.5-6) 3.23 10.25 -50.91 1 8 1 87 461.494 4 ↓

Analogs

20567690
20567690

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Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-(2-morpholinoethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-yl)-…

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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) 3.88 7.93 -13.97 0 8 0 85 494.931 4 ↓
Mid Mid (pH 6-8) 3.88 10.2 -49.54 1 8 1 87 495.939 4 ↓
Lo Low (pH 4.5-6) 3.88 10.76 -49.78 1 8 1 87 495.939 4 ↓

Analogs

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Popular Name: 4-(8-methoxy-2-oxo-chromen-3-yl)-9-(2-morpholinoethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 4-(8-methoxy-2-oxo-chromen-3-yl)…

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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) 3.24 7.11 -19.08 0 9 0 95 490.512 5 ↓
Mid Mid (pH 6-8) 3.24 9.37 -54.27 1 9 1 96 491.52 5 ↓
Lo Low (pH 4.5-6) 3.24 9.95 -54.18 1 9 1 96 491.52 5 ↓

Analogs

20567690
20567690
22935525
22935525
20648330
20648330
22935673
22935673

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-9-(2-morpholinoethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(8-ethoxy-2-oxo-chromen-3-yl)-…

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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) 3.62 8.04 -19.07 0 9 0 95 504.539 6 ↓
Mid Mid (pH 6-8) 3.62 10.3 -54.2 1 9 1 96 505.547 6 ↓
Lo Low (pH 4.5-6) 3.62 10.88 -54.17 1 9 1 96 505.547 6 ↓

Parameters Provided:

ring.id = 564376
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 = 564376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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