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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4171599
4171599
4171600
4171600
4171601
4171601

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-methoxy-quinoline-2-carboxamide N-(2,2-dimethyl-4-phenyl-1,3-dio…

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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) 4.08 -1.52 -10.23 1 6 0 69 392.455 4 ↓
Mid Mid (pH 6-8) 4.08 -1.27 -27.01 2 6 1 70 393.463 4 ↓

Analogs

4171597
4171597

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-methoxy-quinoline-2-carboxamide N-(2,2-dimethyl-4-phenyl-1,3-dio…

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) 4.08 -2.08 -11.15 1 6 0 69 392.455 4 ↓
Mid Mid (pH 6-8) 4.08 -1.83 -36.03 2 6 1 70 393.463 4 ↓

Analogs

4171597
4171597

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-methoxy-quinoline-2-carboxamide N-(2,2-dimethyl-4-phenyl-1,3-dio…

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) 4.08 -2.01 -11.09 1 6 0 69 392.455 4 ↓
Mid Mid (pH 6-8) 4.08 -1.76 -36.35 2 6 1 70 393.463 4 ↓

Analogs

4171597
4171597

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-methoxy-quinoline-2-carboxamide N-(2,2-dimethyl-4-phenyl-1,3-dio…

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) 4.08 -1.57 -10.08 1 6 0 69 392.455 4 ↓
Mid Mid (pH 6-8) 4.08 -1.32 -26.94 2 6 1 70 393.463 4 ↓

Parameters Provided:

ring.id = 247352
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 = 247352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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