UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60287212
60287212
60287214
60287214
60287247
60287247
60287249
60287249
60287255
60287255

Draw Identity 99% 90% 80% 70%

Popular Name: sulfanylspiro[BLAH-BLAH,1'-cyclopentane]one sulfanylspiro[BLAH-BLAH,1'-cyclo…

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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) 3.68 11.31 -56.19 0 5 -1 60 323.401 0 ↓
Mid Mid (pH 6-8) 2.96 11.19 -14.3 1 5 0 63 324.409 0 ↓

Analogs

60287212
60287212
60287214
60287214
60287247
60287247
60287249
60287249
60287255
60287255

Draw Identity 99% 90% 80% 70%

Popular Name: sulfanylspiro[BLAH-BLAH,1'-cyclopentane]one sulfanylspiro[BLAH-BLAH,1'-cyclo…

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) 3.68 11.48 -57.1 0 5 -1 60 323.401 0 ↓
Mid Mid (pH 6-8) 2.96 11.39 -14.75 1 5 0 63 324.409 0 ↓

Parameters Provided:

ring.id = 596016
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 = 596016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=596016&filter.purchasability=annotated

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