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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(8-quinolyl)methanone [(3aS,6aS)-3,3a,4,5,6,6a-hexahyd…

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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) 1.00 5.64 -46 2 4 1 50 268.34 1 ↓
Hi High (pH 8-9.5) 1.00 4.21 -17.53 1 4 0 45 267.332 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(8-quinolyl)methanone [(2R,3aR,6aR)-2-methyl-3,3a,4,5,…

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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) 2.23 6.34 -63.65 2 4 1 50 282.367 1 ↓
Hi High (pH 8-9.5) 2.23 4.92 -16.03 1 4 0 45 281.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3aR,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(8-quinolyl)methanone [(2S,3aR,6aR)-2-methyl-3,3a,4,5,…

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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) 2.23 6.25 -51.83 2 4 1 50 282.367 1 ↓
Hi High (pH 8-9.5) 2.23 4.79 -18.87 1 4 0 45 281.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(8-quinolyl)methanone [(2R,3aS,6aR)-2-methyl-3,3a,4,5,…

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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) 2.23 5.98 -48.01 2 4 1 50 282.367 1 ↓
Hi High (pH 8-9.5) 2.23 4.53 -17.87 1 4 0 45 281.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(8-quinolyl)methanone [(2S,3aS,6aR)-2-methyl-3,3a,4,5,…

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Activity (Go SEA)

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) 2.23 6.15 -48.71 2 4 1 50 282.367 1 ↓
Hi High (pH 8-9.5) 2.23 4.7 -18.56 1 4 0 45 281.359 1 ↓

Parameters Provided:

ring.id = 214987
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 = 214987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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