UCSF
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Analogs

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Popular Name: 1-(2',6'-dimethyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-yl)ethanone 1-(2',6'-dimethyl-5-phenyl-3H-sp…

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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 8.12 -8.54 1 4 0 48 333.387 2 ↓

Analogs

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Popular Name: 1-(2',6'-dimethyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-yl)ethanone 1-(2',6'-dimethyl-5-phenyl-3H-sp…

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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 8.14 -9.36 1 4 0 48 333.387 2 ↓

Analogs

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Popular Name: 1-(7-bromo-2',6'-dimethyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-yl)ethanone 1-(7-bromo-2',6'-dimethyl-5-phen…

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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) 5.93 8.74 -7.89 1 4 0 48 412.283 2 ↓

Analogs

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Popular Name: 1-(7-bromo-2',6'-dimethyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-yl)ethanone 1-(7-bromo-2',6'-dimethyl-5-phen…

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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) 5.93 8.76 -8.45 1 4 0 48 412.283 2 ↓

Analogs

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Popular Name: 2'-amino-6'-methyl-5-phenyl-spiro[3H-1,3-benzoxazole-2,4'-pyran]-3'-carbonitrile 2'-amino-6'-methyl-5-phenyl-spir…

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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) 3.89 4.32 -11.82 3 5 0 80 317.348 1 ↓

Analogs

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Popular Name: 2'-amino-6'-methyl-5-phenyl-spiro[3H-1,3-benzoxazole-2,4'-pyran]-3'-carbonitrile 2'-amino-6'-methyl-5-phenyl-spir…

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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) 3.89 4.19 -12.12 3 5 0 80 317.348 1 ↓

Analogs

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Popular Name: 2'-amino-7-bromo-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carbonitrile 2'-amino-7-bromo-6'-methyl-5-phe…

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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) 4.63 4.95 -11.66 3 5 0 80 396.244 1 ↓

Analogs

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Popular Name: 2'-amino-7-bromo-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carbonitrile 2'-amino-7-bromo-6'-methyl-5-phe…

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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) 4.63 4.82 -12.25 3 5 0 80 396.244 1 ↓

Analogs

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Popular Name: 2'-amino-7-bromo-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carboxamide 2'-amino-7-bromo-6'-methyl-5-phe…

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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) 3.57 1.17 -16.35 5 6 0 100 414.259 2 ↓

Analogs

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Popular Name: 2'-amino-7-bromo-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carboxamide 2'-amino-7-bromo-6'-methyl-5-phe…

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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) 3.57 1.04 -12.75 5 6 0 100 414.259 2 ↓

Analogs

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Popular Name: 2'-amino-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carboxamide 2'-amino-6'-methyl-5-phenyl-3H-s…

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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) 2.84 0.54 -16.1 5 6 0 100 335.363 2 ↓

Analogs

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Popular Name: 2'-amino-6'-methyl-5-phenyl-3H-spiro[1,3-benzoxazole-2,4'-pyran]-3'-carboxamide 2'-amino-6'-methyl-5-phenyl-3H-s…

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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) 2.84 0.4 -13.77 5 6 0 100 335.363 2 ↓

Parameters Provided:

ring.id = 511542
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 = 511542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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