UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[dimethoxy(oxo)spiro[BLAH-BLAH,1'-cyclohexane]yl]butyl]isoindoline-1,3-dione 2-[4-[dimethoxy(oxo)spiro[BLAH-B…

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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) 6.37 14.42 -22.84 0 9 0 102 573.642 7 ↓

Analogs

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Popular Name: 2-[4-(oxospiro[BLAH-BLAH,1'-cyclohexane]yl)butyl]isoindoline-1,3-dione 2-[4-(oxospiro[BLAH-BLAH,1'-cycl…

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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) 6.75 15.24 -19.88 0 7 0 84 513.59 5 ↓

Analogs

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Popular Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-oxo-spiro[BLAH-BLAH,1'-cyclohexane]carbonitrile 4-(1,3-dioxoisoindolin-2-yl)buty…

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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) 6.48 15.66 -19.86 0 8 0 108 538.6 5 ↓

Analogs

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Popular Name: (4-methoxyphenyl)spiro[BLAH-BLAH,1'-cyclohexane]one (4-methoxyphenyl)spiro[BLAH-BLAH…

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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) 6.14 12.65 -13.52 0 5 0 54 418.489 2 ↓

Analogs

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Popular Name: oxo(3-thienyl)spiro[BLAH-BLAH,1'-cyclohexane]carbonitrile oxo(3-thienyl)spiro[BLAH-BLAH,1'…

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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) 5.40 12.62 -13.03 0 5 0 69 419.502 1 ↓

Analogs

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Popular Name: dimethoxy(3-thienyl)spiro[BLAH-BLAH,1'-cyclohexane]one dimethoxy(3-thienyl)spiro[BLAH-B…

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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) 5.29 11.41 -15.17 0 6 0 63 454.544 3 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-oxo-spiro[BLAH-BLAH,1'-cyclohexane]carbonitrile (4-methoxyphenyl)-oxo-spiro[BLAH…

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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) 5.87 13.02 -13.74 0 6 0 78 443.499 2 ↓

Parameters Provided:

ring.id = 476801
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 = 476801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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