UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17108914
17108914
5685952
5685952

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Popular Name: 3-butylidene-6-[(4-methoxyphenyl)methylene]piperazine-2,5-dione 3-butylidene-6-[(4-methoxyphenyl…

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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) 2.49 -1.1 -9.31 2 5 0 74 286.331 4 ↓

Analogs

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Popular Name: (3Z,6E)-3-[(2-nitrophenyl)methylene]-6-propylidene-piperazine-2,5-dione (3Z,6E)-3-[(2-nitrophenyl)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) 1.79 5.82 -12.35 2 7 0 112 287.275 3 ↓

Analogs

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Popular Name: (3Z,6E)-3-[(3,4-dimethoxyphenyl)methylene]-6-(2-methylpropylidene)piperazine-2,5-dione (3Z,6E)-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) 1.77 4.91 -10.64 2 6 0 84 316.357 4 ↓

Analogs

34986214
34986214
5358551
5358551

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Popular Name: albonoursin albonoursin

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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) 2.12 5.97 -6.41 2 4 0 66 256.305 2 ↓

Analogs

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Popular Name: (3Z)-3-[[2-(1,1-dimethylprop-2-enyl)-4,5-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylene]-6-methylen (3Z)-3-[[2-(1,1-dimethylprop-2-e…

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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) 6.81 11.79 -8.71 3 5 0 82 457.618 7 ↓

Parameters Provided:

ring.id = 2958
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 = 2958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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