UCSF
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Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[4-[(2,4-dimethylphenyl)amino]-1,4-dioxobutyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 3.59 11.45 -20.81 3 8 0 114 467.566 14 ↓

Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[4-[(3-chloro-2-methylphenyl)amino]-1,4-dioxobutyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 3.80 11.2 -19.94 3 8 0 114 487.984 14 ↓

Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[1,4-dioxo-4-(phenylamino)butyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 2.77 9.91 -20.83 3 8 0 114 439.512 14 ↓

Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[4-[(4-ethoxyphenyl)amino]-1,4-dioxobutyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 3.20 10.14 -22.16 3 9 0 123 483.565 16 ↓

Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[4-[(2-chlorophenyl)amino]-1,4-dioxobutyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 3.40 10.52 -20.94 3 8 0 114 473.957 14 ↓

Analogs

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Popular Name: pentanedioic acid, mono(3-phenylpropyl) ester, 2-[4-[(2,4-dichlorophenyl)amino]-1,4-dioxobutyl]hydrazide pentanedioic acid, mono(3-phenyl…

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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) 4.05 11.07 -18.41 3 8 0 114 508.402 14 ↓

Parameters Provided:

ring.id = 232290
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 = 232290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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