UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4027029
4027029
4027030
4027030
4832936
4832936
12491249
12491249
1322663
1322663

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]isochromene-6,1'-cyclopentane] (4aR,6aR,10bR)-spiro[1,2,3,4,4a,…

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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) 5.37 0.39 -1.44 0 1 0 9 246.394 0 ↓

Analogs

4027029
4027029
4027030
4027030
4832936
4832936
12491249
12491249
1322663
1322663

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,6aS,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]isochromene-6,1'-cyclopentane] (4aR,6aS,10bR)-spiro[1,2,3,4,4a,…

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) 5.37 0.16 -1.55 0 1 0 9 246.394 0 ↓

Analogs

4027029
4027029
4027030
4027030
4832936
4832936
12491249
12491249
1322663
1322663

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,6aS,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]isochromene-6,1'-cyclopentane] (4aS,6aS,10bR)-spiro[1,2,3,4,4a,…

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) 5.37 0.17 -1.97 0 1 0 9 246.394 0 ↓

Parameters Provided:

ring.id = 231808
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 = 231808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=231808&filter.purchasability=annotated

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