UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-quinoxalin-2-yl-methanone [(3S)-3-hydroxypyrrolidin-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) 0.90 1.5 -10.68 1 5 0 66 243.266 1 ↓

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-quinoxalin-2-yl-methanone [(3R)-3-hydroxypyrrolidin-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) 0.90 1.58 -11.47 1 5 0 66 243.266 1 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(quinoxaline-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(quinoxaline-2-c…

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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) 1.40 5.87 -51.63 0 6 -1 86 284.295 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(quinoxaline-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(quinoxaline-2-c…

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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) 1.40 5.95 -52.51 0 6 -1 86 284.295 2 ↓

Analogs

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Popular Name: 2-[(2R)-1-(quinoxaline-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2R)-1-(quinoxaline-2-carbony…

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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) 1.32 6.28 -55.27 0 6 -1 86 284.295 3 ↓

Analogs

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Popular Name: 2-[(2S)-1-(quinoxaline-2-carbonyl)pyrrolidin-2-yl]acetic 2-[(2S)-1-(quinoxaline-2-carbony…

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Activity (Go SEA)

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) 1.32 6.23 -55.09 0 6 -1 86 284.295 3 ↓

Parameters Provided:

ring.id = 8667
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 = 8667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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