UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8964740
8964740

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Popular Name: (1S,2R,3R,3aR)-1-acetyl-2-(4-bromobenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3'-indolin (1S,2R,3R,3aR)-1-acetyl-2-(4-bro…

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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) 4.76 14.41 -18.58 1 5 0 66 513.391 3 ↓

Analogs

8918291
8918291
8964538
8964538
9013205
9013205

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Popular Name: (1S,2R,3R,3aR)-1-acetyl-2-(3-methoxybenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3'-indol (1S,2R,3R,3aR)-1-acetyl-2-(3-met…

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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) 3.99 13.07 -22.57 1 6 0 76 464.521 4 ↓

Analogs

8964748
8964748

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Popular Name: (1S,2R,3R,3aR)-1-acetyl-7-chloro-2-(4-methoxybenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3 (1S,2R,3R,3aR)-1-acetyl-7-chloro…

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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) 4.67 13.61 -19.09 1 6 0 76 498.966 4 ↓

Analogs

8964749
8964749

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Popular Name: (1S,2R,3R,3aR)-1-acetyl-2-(4-chlorobenzoyl)-7-methoxy-spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline- (1S,2R,3R,3aR)-1-acetyl-2-(4-chl…

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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) 4.67 13.58 -19.59 1 6 0 76 498.966 4 ↓

Parameters Provided:

ring.id = 551254
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 = 551254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=551254&filter.purchasability=annotated

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