UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12859121
12859121
12859129
12859129

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Popular Name: (3aR)-4-ethyl-1,5-dioxo-N-(p-tolylmethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (3aR)-4-ethyl-1,5-dioxo-N-(p-tol…

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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) 1.46 8.55 -19.52 1 6 0 70 377.444 4 ↓

Analogs

12859121
12859121
12859129
12859129

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS)-4-ethyl-1,5-dioxo-N-(p-tolylmethyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (3aS)-4-ethyl-1,5-dioxo-N-(p-tol…

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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) 1.46 8.54 -19.56 1 6 0 70 377.444 4 ↓

Analogs

12859136
12859136
12859141
12859141

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Popular Name: (3aR)-4-ethyl-N-[(2-fluorophenyl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxami (3aR)-4-ethyl-N-[(2-fluorophenyl…

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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) 1.12 7.94 -18.81 1 6 0 70 381.407 4 ↓

Analogs

12859136
12859136
12859141
12859141

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS)-4-ethyl-N-[(2-fluorophenyl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxami (3aS)-4-ethyl-N-[(2-fluorophenyl…

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) 1.12 7.91 -22.18 1 6 0 70 381.407 4 ↓

Parameters Provided:

ring.id = 146247
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 = 146247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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