UCSF
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Analogs

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Popular Name: 5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide 5,5-dioxo-1-phenyl-6,7-dihydro-4…

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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) 0.30 0.7 -17.46 2 6 0 95 291.332 2 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-5,5-dioxo-1-phenyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamid N-[3-(dimethylamino)propyl]-5,5-…

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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) 0.97 5.11 -49.95 2 7 1 86 377.49 6 ↓

Analogs

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Popular Name: N-tert-butyl-5,5-dioxo-1-(p-tolyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide N-tert-butyl-5,5-dioxo-1-(p-toly…

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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) 2.31 5.02 -16.35 1 6 0 81 361.467 3 ↓

Parameters Provided:

ring.id = 519765
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 = 519765 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=519765&filter.purchasability=annotated

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