UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(1,2-benzoxazol-3-yl)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) 1.49 6.95 -58.29 0 6 -1 86 287.295 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(1,2-benzoxazol-3-yl)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) 1.49 7.02 -64.99 0 6 -1 86 287.295 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(1,2-benzoxazol-3-y…

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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) 1.41 7.3 -63.27 0 6 -1 86 287.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(1,2-benzoxazol-3-y…

Find On: PubMed — Wikipedia — Google

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) 1.41 7.28 -61.7 0 6 -1 86 287.295 4 ↓

Parameters Provided:

ring.id = 306976
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 = 306976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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