UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(3S)-3-methylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3S)-3-methylpyrrolidine-3-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) -0.34 -0.06 -44.31 3 5 1 66 212.273 1 ↓

Analogs

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Popular Name: 4-[(3R)-3-methylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3R)-3-methylpyrrolidine-3-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) -0.34 -0.05 -45.89 3 5 1 66 212.273 1 ↓

Analogs

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Popular Name: 4-[(3S)-3-ethylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3S)-3-ethylpyrrolidine-3-car…

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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) 0.00 0.48 -50.68 3 5 1 66 226.3 2 ↓

Analogs

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Popular Name: 4-[(3R)-3-ethylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3R)-3-ethylpyrrolidine-3-car…

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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) 0.00 0.46 -45.2 3 5 1 66 226.3 2 ↓

Analogs

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Popular Name: 4-[(3S)-3-propylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3S)-3-propylpyrrolidine-3-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) 0.56 1.27 -50.95 3 5 1 66 240.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-propylpyrrolidine-3-carbonyl]piperazin-2-one 4-[(3R)-3-propylpyrrolidine-3-ca…

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) 0.56 1.22 -45.45 3 5 1 66 240.327 3 ↓

Parameters Provided:

ring.id = 300219
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 = 300219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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