UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.90 8.79 -17.85 1 7 0 85 384.775 4 ↓

Analogs

13624703
13624703

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Popular Name: 3-(1H-indol-3-ylmethylene)-1-phenyl-pyrrolidine-2,5-dione 3-(1H-indol-3-ylmethylene)-1-phe…

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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) 2.61 0.77 -13.03 1 4 0 53 302.333 2 ↓

Analogs

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Popular Name: (3aR,6aR)-5-(3-chloro-4-fluoro-phenyl)-3-(2,3-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole- (3aR,6aR)-5-(3-chloro-4-fluoro-p…

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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) 2.51 6.84 -8.79 1 7 0 77 404.781 4 ↓

Analogs

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Popular Name: (3aS,6aR)-3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione (3aS,6aR)-3-(3,4-dimethoxyphenyl…

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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) 1.52 6.88 -12.17 1 10 0 123 397.343 5 ↓

Analogs

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Popular Name: (3aR)-2-(1,1-diethoxyethoxymethyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione (3aR)-2-(1,1-diethoxyethoxymethy…

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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) 1.92 6.51 -9.05 0 6 0 65 297.351 7 ↓

Analogs

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Popular Name: (3aS)-2-(1,1-diethoxyethoxymethyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione (3aS)-2-(1,1-diethoxyethoxymethy…

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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) 1.92 6.53 -9.06 0 6 0 65 297.351 7 ↓

Analogs

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Popular Name: (3Z)-1-cyclohexyl-3-(1-methyl-2-oxo-indolin-3-ylidene)pyrrolidine-2,5-dione (3Z)-1-cyclohexyl-3-(1-methyl-2-…

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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) 2.38 10.4 -15.53 0 5 0 59 324.38 1 ↓

Analogs

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Popular Name: methyl methyl

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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 12.04 -15.46 0 5 0 64 371.392 4 ↓

Analogs

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Popular Name: (3E)-1-(4-methoxyphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methylene]pyrrolidine-2,5-dione (3E)-1-(4-methoxyphenyl)-3-[(1,3…

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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) 1.34 7.3 -13.49 0 6 0 64 325.368 3 ↓

Analogs

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Popular Name: (3E)-1-(4-acetylphenyl)-3-[(4-hydroxyphenyl)methylene]pyrrolidine-2,5-dione (3E)-1-(4-acetylphenyl)-3-[(4-hy…

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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) 2.06 6.67 -15.12 1 5 0 75 321.332 3 ↓

Analogs

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Popular Name: (3aS,6aR)-3-(1,5-dimethylpyrazol-4-yl)-5-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-di (3aS,6aR)-3-(1,5-dimethylpyrazol…

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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) 0.45 6.21 -18.11 1 10 0 122 355.31 3 ↓

Analogs

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Popular Name: (3aS,6aR)-5-(3-chlorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-d (3aS,6aR)-5-(3-chlorophenyl)-3-(…

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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) 1.17 6.09 -10.86 1 7 0 76 344.758 2 ↓

Parameters Provided:

ring.id = 5938
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 = 5938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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