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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3aS,6aR)-5-[(2,5-dimethylphenyl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]ox (3aS,6aR)-5-[(2,5-dimethylphenyl…

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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) 2.29 6.6 -14.6 0 6 0 45 373.497 6 ↓
Mid Mid (pH 6-8) 2.29 8.87 -50.93 1 6 1 46 374.505 6 ↓
Lo Low (pH 4.5-6) 2.29 10.62 -110.27 2 6 2 48 375.513 6 ↓

Analogs

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Popular Name: (3aS,6aR)-3-(3-morpholinopropyl)-5-[(3-vinylphenyl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol- (3aS,6aR)-3-(3-morpholinopropyl)…

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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) 2.29 5.62 -12.06 0 6 0 45 371.481 7 ↓
Mid Mid (pH 6-8) 2.29 7.88 -47.6 1 6 1 46 372.489 7 ↓
Lo Low (pH 4.5-6) 2.29 10.36 -110.34 2 6 2 48 373.497 7 ↓

Analogs

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Popular Name: (3aS,6aR)-5-[(3-hydroxyphenyl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazo (3aS,6aR)-5-[(3-hydroxyphenyl)me…

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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) 0.96 1.68 -14 1 7 0 65 361.442 6 ↓
Mid Mid (pH 6-8) 0.96 3.94 -49.87 2 7 1 67 362.45 6 ↓
Lo Low (pH 4.5-6) 0.96 6.41 -113.01 3 7 2 68 363.458 6 ↓

Analogs

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Popular Name: (3aS,6aR)-5-[(4-fluorophenyl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol (3aS,6aR)-5-[(4-fluorophenyl)met…

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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) 1.63 4.6 -12.77 0 6 0 45 363.433 6 ↓
Mid Mid (pH 6-8) 1.63 6.86 -48.8 1 6 1 46 364.441 6 ↓
Lo Low (pH 4.5-6) 1.63 9.34 -114.95 2 6 2 48 365.449 6 ↓

Analogs

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Popular Name: 2-[[(3aS,6aR)-3-(3-morpholinopropyl)-2-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl]methyl]benz 2-[[(3aS,6aR)-3-(3-morpholinopro…

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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) 1.17 4.85 -13.55 0 7 0 69 370.453 6 ↓
Mid Mid (pH 6-8) 1.17 7.11 -46.99 1 7 1 70 371.461 6 ↓

Parameters Provided:

ring.id = 559088
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 = 559088 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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