UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3aS,4S,8aS,8bR)-2-(2-chlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,6'-indo (3aS,4S,8aS,8bR)-2-(2-chlorophen…

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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) 4.34 10.84 -25.46 0 7 0 76 508.965 1 ↓
Mid Mid (pH 6-8) 4.34 13.75 -42.62 1 7 1 77 509.973 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,8aR,8bR)-2-(2-chlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,6'-indo (3aS,4S,8aR,8bR)-2-(2-chlorophen…

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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) 4.34 12.19 -21.95 0 7 0 76 508.965 1 ↓
Mid Mid (pH 6-8) 4.34 13.89 -48.04 1 7 1 77 509.973 1 ↓

Analogs

13727747
13727747

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Popular Name: (3aS,4S,8aR,8bR)-2-(3,4-dimethylphenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,6'- (3aS,4S,8aR,8bR)-2-(3,4-dimethyl…

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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) 4.53 12.57 -21.92 0 7 0 76 502.574 1 ↓

Parameters Provided:

ring.id = 226385
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 = 226385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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