UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]-3-nitro-pyridin-2-one 1-[2-(1-methylpyrrol-3-yl)-2-oxo…

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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) 0.30 8.71 -28.8 0 7 0 90 261.237 4 ↓

Analogs

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Popular Name: 3-nitro-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-2-one 3-nitro-1-[2-oxo-2-(1,2,5-trimet…

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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) 0.74 9.7 -28.29 0 7 0 90 289.291 4 ↓

Analogs

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Popular Name: 1-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl]-N,N-diethyl-6-oxo-pyridine-3-su 1-[2-[2,5-dimethyl-1-(2,2,2-trif…

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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) 2.09 9 -18.95 0 7 0 81 447.479 9 ↓

Analogs

5823073
5823073

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Popular Name: 1-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one 1-[2-(1-isopentyl-2,5-dimethyl-p…

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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) 2.71 11.68 -14.06 0 7 0 90 345.399 7 ↓

Analogs

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Popular Name: 1-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl]-N,N-dimethyl-6-oxo-pyridine-3-s 1-[2-[2,5-dimethyl-1-(2,2,2-trif…

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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) 1.34 7.18 -21.7 0 7 0 81 419.425 7 ↓

Analogs

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Popular Name: 3-methyl-1-[2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]pyridin-2-one 3-methyl-1-[2-(1-methylpyrrol-3-…

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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) 0.78 7.77 -18.15 0 4 0 44 230.267 3 ↓

Analogs

10683163
10683163

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Popular Name: 1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-3-methyl-pyridin-2-one 1-[2-(1-ethyl-2,5-dimethyl-pyrro…

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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) 1.60 9.61 -17.33 0 4 0 44 272.348 4 ↓

Analogs

10683163
10683163

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-2-one 3-methyl-1-[2-oxo-2-(1,2,5-trime…

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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) 1.23 8.73 -17.68 0 4 0 44 258.321 3 ↓

Parameters Provided:

ring.id = 10664
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 = 10664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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