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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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]-[(2R)-tetrahydrothiophen-2-yl]metha [(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) 0.72 4.68 -40.85 2 3 1 37 227.353 1 ↓
Hi High (pH 8-9.5) 0.72 3.25 -9.33 1 3 0 32 226.345 1 ↓

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]-[(2S)-tetrahydrothiophen-2-yl]metha [(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) 0.72 4.66 -43.31 2 3 1 37 227.353 1 ↓
Hi High (pH 8-9.5) 0.72 3.23 -9.49 1 3 0 32 226.345 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]-[(2S)-tetrahydrothiophe [(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) 1.94 5.08 -42.14 2 3 1 37 241.38 1 ↓
Hi High (pH 8-9.5) 1.94 3.63 -8.6 1 3 0 32 240.372 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]-[(2S)-tetrahydrothiophe [(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) 1.94 5.2 -49.72 2 3 1 37 241.38 1 ↓
Hi High (pH 8-9.5) 1.94 3.76 -7.23 1 3 0 32 240.372 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]-[(2S)-tetrahydrothiophe [(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) 1.94 4.93 -41.71 2 3 1 37 241.38 1 ↓
Hi High (pH 8-9.5) 1.94 3.46 -8.44 1 3 0 32 240.372 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]-[(2S)-tetrahydrothiophe [(2S,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) 1.94 5.14 -41.77 2 3 1 37 241.38 1 ↓
Hi High (pH 8-9.5) 1.94 3.68 -8.53 1 3 0 32 240.372 1 ↓

Parameters Provided:

ring.id = 512489
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 = 512489 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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