UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40818589
40818589

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Popular Name: cyclohexoxycarbonyl-formyl-isopropyl-methyl-BLAHcarboxylic cyclohexoxycarbonyl-formyl-isopr…

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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) 5.32 14.43 -66.45 0 5 -1 84 427.561 6 ↓

Analogs

40520087
40520087

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Popular Name: cyclohexylcarbamoyl-formyl-isopropyl-methyl-BLAHcarboxylic cyclohexylcarbamoyl-formyl-isopr…

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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) 4.90 12.45 -71.99 1 5 -1 86 426.577 5 ↓
Lo Low (pH 4.5-6) 4.90 10.42 -16.16 2 5 0 83 427.585 5 ↓

Analogs

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Popular Name: [(3aS,5R,7R,7aS)-7-methyl-3-methylene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl]oxymethyl-chloro [(3aS,5R,7R,7aS)-7-methyl-3-meth…

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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) 5.10 12.95 -64.32 0 6 -1 85 518.07 6 ↓

Analogs

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Popular Name: cyclohexylsulfanylmethyl-formyl-isopropyl-methyl-BLAHcarboxylic cyclohexylsulfanylmethyl-formyl-…

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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) 5.99 15.06 -49.25 0 3 -1 57 429.646 6 ↓
Lo Low (pH 4.5-6) 5.99 13.23 -7.35 1 3 0 54 430.654 6 ↓

Parameters Provided:

ring.id = 13733
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 = 13733 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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