UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38590808
38590808

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Popular Name: 4-[(2,3-dioxoindolin-1-yl)methyl]piperazine-1-carbaldehyde 4-[(2,3-dioxoindolin-1-yl)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) 0.19 4.26 -19.24 0 6 0 63 273.292 2 ↓

Analogs

4012254
4012254

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Popular Name: 4-[(5-bromo-2,3-dioxo-indolin-1-yl)methyl]piperazine-1-carbaldehyde 4-[(5-bromo-2,3-dioxo-indolin-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) 0.98 4.75 -16.22 0 6 0 63 352.188 2 ↓

Analogs

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Popular Name: 4-[(5-nitro-2,3-dioxo-indolin-1-yl)methyl]piperazine-1-carbaldehyde 4-[(5-nitro-2,3-dioxo-indolin-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) 0.13 4.82 -19.75 0 9 0 108 318.289 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.02 6.23 -17.04 0 7 0 72 396.241 4 ↓

Analogs

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Popular Name: 1-[[4-(3,3-dimethylbutyl)piperazin-1-yl]methyl]-6-methoxy-indoline-2,3-dione 1-[[4-(3,3-dimethylbutyl)piperaz…

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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) 2.81 7.46 -45.57 1 6 1 56 360.478 6 ↓
Mid Mid (pH 6-8) 2.81 5.2 -9.54 0 6 0 55 359.47 6 ↓

Parameters Provided:

ring.id = 74402
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 = 74402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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