UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(indoline-1-carbonyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione 3-(indoline-1-carbonyl)-7,7-dime…

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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) 2.82 8.02 -23.75 1 5 0 70 336.391 1 ↓
Hi High (pH 8-9.5) 3.28 7.15 -62.35 0 5 -1 73 335.383 1 ↓

Analogs

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Popular Name: 7,7-dimethyl-3-[(2R)-2-methylindoline-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione 7,7-dimethyl-3-[(2R)-2-methylind…

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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) 3.15 7.99 -21.18 1 5 0 70 350.418 1 ↓
Hi High (pH 8-9.5) 3.61 7.61 -63.29 0 5 -1 73 349.41 1 ↓

Analogs

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Popular Name: 7,7-dimethyl-3-[(2S)-2-methylindoline-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione 7,7-dimethyl-3-[(2S)-2-methylind…

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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) 3.15 7.96 -21.74 1 5 0 70 350.418 1 ↓
Hi High (pH 8-9.5) 3.61 7.64 -62.93 0 5 -1 73 349.41 1 ↓

Analogs

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Popular Name: (7R)-3-(indoline-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (7R)-3-(indoline-1-carbonyl)-7-m…

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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) 2.41 7.69 -24.84 1 5 0 70 322.364 1 ↓
Hi High (pH 8-9.5) 2.86 6.82 -61.73 0 5 -1 73 321.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-3-(indoline-1-carbonyl)-7-methyl-1,6,7,8-tetrahydroquinoline-2,5-dione (7S)-3-(indoline-1-carbonyl)-7-m…

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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) 2.41 7.69 -23.94 1 5 0 70 322.364 1 ↓
Hi High (pH 8-9.5) 2.86 6.82 -61.84 0 5 -1 73 321.356 1 ↓

Parameters Provided:

ring.id = 574564
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 = 574564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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