UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,3S,7aS)-4'-bromo-1'-[(4-bromophenyl)methyl]-3-methyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]p (1R,3S,7aS)-4'-bromo-1'-[(4-brom…

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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) 5.88 13.19 -9.24 0 3 0 30 503.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,7aR)-4'-bromo-1'-[(4-bromophenyl)methyl]-3-methyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c]p (1R,3S,7aR)-4'-bromo-1'-[(4-brom…

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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) 5.88 12.76 -10.14 0 3 0 30 503.234 2 ↓

Analogs

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Popular Name: (1R,3S,7aS)-4'-bromo-1'-[(4-fluorophenyl)methyl]-3-methyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c] (1R,3S,7aS)-4'-bromo-1'-[(4-fluo…

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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) 5.24 12.64 -9.92 0 3 0 30 442.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,7aR)-4'-bromo-1'-[(4-fluorophenyl)methyl]-3-methyl-spiro[4,6,7,7a-tetrahydro-3H-cyclopenta[c] (1R,3S,7aR)-4'-bromo-1'-[(4-fluo…

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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) 5.24 12.2 -10.79 0 3 0 30 442.328 2 ↓

Parameters Provided:

ring.id = 472069
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 = 472069 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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