UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]acetyl]amino]-N-(m-tolyl)benzamide 2-[[2-[[2-[(2-chlorophenyl)amino…

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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) 4.58 10.83 -48.09 4 7 1 92 465.961 8 ↓
Hi High (pH 8-9.5) 4.58 8.56 -20.69 3 7 0 91 464.953 8 ↓

Analogs

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Popular Name: 2-[[2-[[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]-methyl-amino]acetyl]amino]-N-(m-tolyl)benzamide 2-[[2-[[2-[(3-methoxyphenyl)amin…

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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) 3.98 9.55 -53.05 4 8 1 101 461.542 9 ↓
Hi High (pH 8-9.5) 3.98 7.3 -27.23 3 8 0 100 460.534 9 ↓

Analogs

7592788
7592788

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Popular Name: 2-[[2-[[2-[(2,3-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]acetyl]amino]-N-(m-tolyl)benzamide 2-[[2-[[2-[(2,3-dimethylphenyl)a…

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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) 4.75 11.55 -51.43 4 7 1 92 459.57 8 ↓
Hi High (pH 8-9.5) 4.75 9.3 -23.7 3 7 0 91 458.562 8 ↓

Analogs

25944458
25944458

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Popular Name: [2-keto-2-(m-anisidino)ethyl]-[2-keto-2-[2-(phenylcarbamoyl)anilino]ethyl]-methyl-ammonium [2-keto-2-(m-anisidino)ethyl]-[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) 3.56 -0.59 -50.23 4 8 1 100 447.515 9 ↓

Analogs

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Popular Name: 2-[[2-[ethyl-[2-[(2-methoxyphenyl)amino]-2-oxo-ethyl]amino]acetyl]amino]-N-phenyl-benzamide 2-[[2-[ethyl-[2-[(2-methoxypheny…

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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) 3.91 9.66 -41.79 4 8 1 101 461.542 10 ↓

Analogs

44646790
44646790
44647715
44647715

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Popular Name: 2-[[2-[[2-(o-tolylamino)-2-oxo-ethyl]-propyl-amino]acetyl]amino]-N-phenyl-benzamide 2-[[2-[[2-(o-tolylamino)-2-oxo-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) 4.81 11.9 -44.36 4 7 1 92 459.57 10 ↓

Parameters Provided:

ring.id = 135095
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 = 135095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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