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

Analogs

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Popular Name: (3aR,6aR)-N-(2-amino-1,1-dimethyl-2-oxo-ethyl)-5-benzyl-1,2,3,3a,4,6-hexahydropyrrolo[3,4-c]pyrrole- (3aR,6aR)-N-(2-amino-1,1-dimethy…

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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) 0.67 0.62 -60.49 5 6 1 92 331.44 5 ↓
Hi High (pH 8-9.5) 0.67 -0.83 -13.6 4 6 0 87 330.432 5 ↓

Analogs

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Popular Name: (3aS,6aS)-2-[(2-allyloxyphenyl)methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-carboxylic (3aS,6aS)-2-[(2-allyloxyphenyl)m…

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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) 1.59 5.47 -46.15 2 5 0 69 302.374 6 ↓
Hi High (pH 8-9.5) 1.59 4.03 -49.82 1 5 -1 65 301.366 6 ↓
Lo Low (pH 4.5-6) 1.59 7.98 -79.44 3 5 1 70 303.382 6 ↓

Analogs

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Popular Name: (3aS,6aS)-2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-carb (3aS,6aS)-2-[[2-(trifluoromethox…

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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) 1.86 4.54 -51.3 2 5 0 69 330.306 5 ↓
Hi High (pH 8-9.5) 1.86 3.1 -50.51 1 5 -1 65 329.298 5 ↓
Lo Low (pH 4.5-6) 1.86 7.08 -77.92 3 5 1 70 331.314 5 ↓

Analogs

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Popular Name: (3aS,6aS)-2-[(3-chloro-4-isopropoxy-phenyl)methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-ca (3aS,6aS)-2-[(3-chloro-4-isoprop…

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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) 2.34 5.96 -47.77 2 5 0 69 338.835 5 ↓
Hi High (pH 8-9.5) 2.34 4.52 -48.45 1 5 -1 65 337.827 5 ↓
Lo Low (pH 4.5-6) 2.34 8.46 -91.33 3 5 1 70 339.843 5 ↓

Analogs

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Popular Name: 2-(1-azocanyl)-N'-(2,4-dichlorobenzylidene)acetohydrazide 2-(1-azocanyl)-N'-(2,4-dichlorob…

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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 3.56 -50.86 3 4 1 49 286.399 5 ↓
Hi High (pH 8-9.5) 1.77 2.12 -10.41 2 4 0 44 285.391 5 ↓

Parameters Provided:

ring.id = 401175
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 = 401175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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