UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3aR,7aR)-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoind (3aR,7aR)-2-[[4-[3-(trifluoromet…

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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) 2.20 5.98 -12.27 0 7 0 78 457.474 5 ↓
Ref Reference (pH 7) 2.20 5.94 -13.56 0 7 0 78 457.474 5 ↓
Ref Reference (pH 7) 2.20 5.9 -11.91 0 7 0 78 457.474 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,7aR)-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoind (3aR,7aR)-2-[[4-[2-(trifluoromet…

Find On: PubMed — Wikipedia — Google

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) 2.17 6.14 -16.32 0 7 0 78 457.474 5 ↓
Lo Low (pH 4.5-6) 2.17 9.08 -58 1 7 1 79 458.482 5 ↓

Parameters Provided:

ring.id = 233510
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 = 233510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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