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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,4R,6R,6aR)-2-(3-chlorophenyl)-4-methyl-1'-(2-methylprop-2-enyl)spiro[3a,4,5,6a-tetrahydropyrrol (3aS,4R,6R,6aR)-2-(3-chloropheny…

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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) 4.00 8.99 -13.09 1 6 0 70 435.911 3 ↓
Ref Reference (pH 7) 4.00 8.68 -10.33 1 6 0 70 435.911 3 ↓
Mid Mid (pH 6-8) 4.00 10.2 -51.02 2 6 1 74 436.919 3 ↓

Analogs

35833095
35833095
35833097
35833097

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Popular Name: 3-[(3aS,4S,6S,6aR)-2-(5-methoxy-2-methyl-4-nitro-phenyl)-1,2',3-trioxo-spiro[3a,4,5,6a-tetrahydropyr 3-[(3aS,4S,6S,6aR)-2-(5-methoxy-…

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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) 1.16 3.99 -21.23 4 12 0 177 493.476 6 ↓
Mid Mid (pH 6-8) 1.16 4.9 -61.02 5 12 1 181 494.484 6 ↓

Analogs

16009727
16009727
16009728
16009728
16009772
16009772

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Popular Name: 3-[(3aS,4R,6S,6aR)-2-(5-methoxy-2-methyl-4-nitro-phenyl)-1,2',3-trioxo-spiro[3a,4,5,6a-tetrahydropyr 3-[(3aS,4R,6S,6aR)-2-(5-methoxy-…

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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) 1.16 3.87 -27.06 4 12 0 177 493.476 6 ↓
Mid Mid (pH 6-8) 1.16 4.95 -72.1 5 12 1 181 494.484 6 ↓

Analogs

35895169
35895169
16033882
16033882
16033883
16033883

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6S,6aR)-2-(2-methoxy-4-nitro-phenyl)-4-(2-methylsulfanylethyl)spiro[3a,4,5,6a-tetrahydropyrr (3aS,4S,6S,6aR)-2-(2-methoxy-4-n…

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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) 2.30 6.63 -12.25 2 10 0 134 482.518 6 ↓
Mid Mid (pH 6-8) 2.30 7.84 -54.2 3 10 1 138 483.526 6 ↓

Analogs

16033882
16033882
16033883
16033883
35895166
35895166

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6S,6aR)-2-(2-methoxy-4-nitro-phenyl)-4-(2-methylsulfanylethyl)spiro[3a,4,5,6a-tetrahydropyrr (3aS,4R,6S,6aR)-2-(2-methoxy-4-n…

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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) 2.30 6.59 -15.04 2 10 0 134 482.518 6 ↓
Mid Mid (pH 6-8) 2.30 7.62 -57.69 3 10 1 138 483.526 6 ↓
Lo Low (pH 4.5-6) 2.30 7.76 -53.44 3 10 1 138 483.526 6 ↓

Parameters Provided:

ring.id = 42426
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 = 42426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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