UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5518688
5518688
16940615
16940615

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d]isoxazole (3aR,9bS)-4,9b-dihydro-3aH-chrom…

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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) 1.82 3.8 -9.45 0 3 0 31 175.187 0 ↓

Analogs

5518688
5518688
16940615
16940615

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bR)-4,9b-dihydro-3aH-chromeno[3,4-d]isoxazole (3aR,9bR)-4,9b-dihydro-3aH-chrom…

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) 1.82 3.93 -9.35 0 3 0 31 175.187 0 ↓

Analogs

5518688
5518688
16940615
16940615

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d]isoxazole (3aS,9bS)-4,9b-dihydro-3aH-chrom…

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) 1.82 4.17 -9.77 0 3 0 31 175.187 0 ↓

Analogs

5518688
5518688
16940615
16940615

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,9bR)-4,9b-dihydro-3aH-chromeno[3,4-d]isoxazole (3aS,9bR)-4,9b-dihydro-3aH-chrom…

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) 1.82 3.8 -9.47 0 3 0 31 175.187 0 ↓

Parameters Provided:

ring.id = 101637
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 = 101637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101637&filter.purchasability=annotated

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