UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)BLAHcarboxamide N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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) 2.85 9.46 -8.61 0 5 0 47 345.487 7 ↓

Analogs

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Popular Name: [4-(m-tolylmethyl)piperazin-1-yl]-BLAHyl-methanone [4-(m-tolylmethyl)piperazin-1-yl…

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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 9.87 -8.55 0 3 0 24 324.468 3 ↓
Mid Mid (pH 6-8) 3.99 12.08 -47.39 1 3 1 25 325.476 3 ↓

Analogs

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Popular Name: N-[[2-(2-methoxyphenoxy)-3-pyridyl]methyl]BLAHcarboxamide N-[[2-(2-methoxyphenoxy)-3-pyrid…

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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 7.94 -12.84 1 5 0 60 364.445 6 ↓

Analogs

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Popular Name: (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-BLAHyl-methanone (2-ethyl-5,7-dihydropyrrolo[3,4-…

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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) 2.26 7.86 -8.45 0 4 0 46 283.375 2 ↓

Analogs

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Popular Name: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)BLAHcarboxamide N-(5,6,7,8-tetrahydroimidazo[1,2…

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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) 2.60 9.36 -28.08 2 4 1 48 272.372 2 ↓

Parameters Provided:

ring.id = 387962
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 = 387962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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