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

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,4R,6S,6aS)-6-(3,5-difluoro-4-methoxy-phenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c [(3aR,4R,6S,6aS)-6-(3,5-difluoro…

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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) 1.77 2.32 -40.92 3 4 1 46 299.341 3 ↓

Analogs

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Popular Name: 2-[2-[(3aS,4S,6R,6aR)-6-(hydroxymethyl)-6-isobutyl-2-methyl-1,3,3a,4,5,6a-hexahydropyrrolo[3,4-c]pyr 2-[2-[(3aS,4S,6R,6aR)-6-(hydroxy…

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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) 2.63 1.88 -39.62 4 5 1 66 349.495 7 ↓

Analogs

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Popular Name: [(3aR,4R,6S,6aS)-2-methyl-6-(o-tolyl)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-yl]methanol [(3aR,4R,6S,6aS)-2-methyl-6-(o-t…

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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) 1.93 3.6 -35.87 3 3 1 37 247.362 2 ↓

Analogs

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Popular Name: [(3aS,4S,6R,6aR)-4-(4-allyloxy-2-chloro-5-methoxy-phenyl)-2,6-dimethyl-1,3,3a,4,5,6a-hexahydropyrrol [(3aS,4S,6R,6aR)-4-(4-allyloxy-2…

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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) 2.87 4.23 -38.72 3 5 1 55 367.897 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4S,6R,6aR)-2-ethyl-4-(5-fluoro-2-methoxy-phenyl)-6-isobutyl-1,3,3a,4,5,6a-hexahydropyrrolo[3,4 [(3aS,4S,6R,6aR)-2-ethyl-4-(5-fl…

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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) 3.78 5.25 -38.56 3 4 1 46 351.486 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-({4-nitrobenzyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide 2-chloro-N-[2-({4-nitrobenzyl}su…

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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) 2.04 2.33 -41.23 4 5 1 66 347.479 7 ↓

Parameters Provided:

ring.id = 397336
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 = 397336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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