UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: isoindolin-2-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone isoindolin-2-yl-[(3S)-3-methylpy…

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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) 1.18 5.24 -48.41 2 3 1 37 231.319 1 ↓

Analogs

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Popular Name: isoindolin-2-yl-[(3R)-3-methylpyrrolidin-3-yl]methanone isoindolin-2-yl-[(3R)-3-methylpy…

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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) 1.18 5.32 -48.04 2 3 1 37 231.319 1 ↓

Analogs

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Popular Name: [(3S)-3-ethylpyrrolidin-3-yl]-isoindolin-2-yl-methanone [(3S)-3-ethylpyrrolidin-3-yl]-is…

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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) 1.52 5.86 -49.32 2 3 1 37 245.346 2 ↓

Analogs

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Popular Name: [(3R)-3-ethylpyrrolidin-3-yl]-isoindolin-2-yl-methanone [(3R)-3-ethylpyrrolidin-3-yl]-is…

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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) 1.52 5.8 -47.29 2 3 1 37 245.346 2 ↓

Analogs

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Popular Name: isoindolin-2-yl-[(3S)-3-propylpyrrolidin-3-yl]methanone isoindolin-2-yl-[(3S)-3-propylpy…

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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) 2.08 6.63 -49.58 2 3 1 37 259.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isoindolin-2-yl-[(3R)-3-propylpyrrolidin-3-yl]methanone isoindolin-2-yl-[(3R)-3-propylpy…

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) 2.08 6.57 -47.61 2 3 1 37 259.373 3 ↓

Parameters Provided:

ring.id = 305476
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 = 305476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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