UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41669098
41669098
41669376
41669376

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Popular Name: (4-methoxyphenyl)-methyl-(2-pyridylmethyl)BLAHone (4-methoxyphenyl)-methyl-(2-pyri…

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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) 3.66 10.45 -53.11 1 6 1 66 415.469 4 ↓
Lo Low (pH 4.5-6) 3.66 1.4 -131.47 2 6 2 67 416.477 4 ↓

Analogs

12442651
12442651
20648763
20648763

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Popular Name: 3-(2-methoxyphenyl)-9-(2-pyridylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 3-(2-methoxyphenyl)-9-(2-pyridyl…

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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) 4.53 7.81 -12.95 0 6 0 65 468.431 5 ↓
Mid Mid (pH 6-8) 4.53 8.55 -43.44 1 6 1 66 469.439 5 ↓

Analogs

12442651
12442651
20650041
20650041
9422633
9422633

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Popular Name: 3-(4-chlorophenyl)-9-(2-pyridylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin- 3-(4-chlorophenyl)-9-(2-pyridylm…

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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) 5.20 8.98 -9.59 0 5 0 56 472.85 4 ↓
Mid Mid (pH 6-8) 5.20 9.71 -41.2 1 5 1 57 473.858 4 ↓

Analogs

12442651
12442651
9421981
9421981
9422633
9422633

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Popular Name: 3-(4-methoxyphenyl)-9-(2-pyridylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin 3-(4-methoxyphenyl)-9-(2-pyridyl…

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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) 4.57 7.77 -11.25 0 6 0 65 468.431 5 ↓
Mid Mid (pH 6-8) 4.57 8.52 -42.37 1 6 1 66 469.439 5 ↓

Analogs

8993043
8993043
8991526
8991526
13690287
13690287

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Popular Name: 3-(3,4-dimethoxyphenyl)-9-(2-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(3,4-dimethoxyphenyl)-9-(2-pyr…

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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) 3.03 6.83 -16.98 0 7 0 74 430.46 5 ↓
Mid Mid (pH 6-8) 3.03 7.58 -49.19 1 7 1 75 431.468 5 ↓

Analogs

9421981
9421981
9422633
9422633

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Popular Name: 3-(3,4-dimethoxyphenyl)-2-methyl-9-(2-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(3,4-dimethoxyphenyl)-2-methyl…

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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) 3.25 7.42 -16.7 0 7 0 74 444.487 5 ↓
Mid Mid (pH 6-8) 3.25 8.17 -49.44 1 7 1 75 445.495 5 ↓

Analogs

12442651
12442651

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Popular Name: 3-(3,4-dimethoxyphenyl)-9-(2-pyridylmethyl)-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzox 3-(3,4-dimethoxyphenyl)-9-(2-pyr…

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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) 4.16 7.68 -13.46 0 7 0 74 498.457 6 ↓
Mid Mid (pH 6-8) 4.16 8.43 -45.09 1 7 1 75 499.465 6 ↓

Analogs

8991526
8991526
8993043
8993043

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Popular Name: 3-(4-bromophenyl)-9-(2-pyridylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one 3-(4-bromophenyl)-9-(2-pyridylme…

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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) 4.19 8.24 -13.21 0 5 0 56 449.304 3 ↓
Mid Mid (pH 6-8) 4.19 8.97 -45.56 1 5 1 57 450.312 3 ↓

Parameters Provided:

ring.id = 7126
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 = 7126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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