UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(5-nitro-1H-pyrrole-2-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(5-nitro-1H-pyrrole-2-carbonyl…

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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) 1.67 5.58 -10.71 2 8 0 111 286.247 2 ↓

Analogs

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Popular Name: 4-(1-propylpyrrole-2-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(1-propylpyrrole-2-carbonyl)-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) 2.53 6.65 -10.32 1 5 0 54 283.331 3 ↓

Analogs

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Popular Name: 4-(4-chloro-1-ethyl-pyrrole-2-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(4-chloro-1-ethyl-pyrrole-2-ca…

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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) 2.64 6.39 -9.68 1 5 0 54 303.749 2 ↓

Analogs

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Popular Name: 4-(1-isopropylpyrrole-2-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(1-isopropylpyrrole-2-carbonyl…

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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) 2.39 6.5 -9.87 1 5 0 54 283.331 2 ↓

Analogs

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Popular Name: 4-(1-ethylpyrrole-2-carbonyl)-1,3-dihydroquinoxalin-2-one 4-(1-ethylpyrrole-2-carbonyl)-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) 2.03 5.87 -10.67 1 5 0 54 269.304 2 ↓

Parameters Provided:

ring.id = 216497
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 = 216497 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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