UCSF
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Analogs

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Popular Name: (3S)-3-methyl-1-(5-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(5-oxo-1,4-diaze…

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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) -0.53 2.81 -46.27 1 7 -1 93 268.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(5-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(5-oxo-1,4-diaze…

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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) -0.53 2.76 -45.92 1 7 -1 93 268.293 1 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(5-oxo-1,4-diazep…

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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) -0.20 3.32 -44.24 1 7 -1 93 282.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(5-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(5-oxo-1,4-diazep…

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) -0.20 3.25 -44.75 1 7 -1 93 282.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-oxo-1,4-diazepane-1-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(5-oxo-1,4-diazepane-1-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) 0.36 4.09 -44.42 1 7 -1 93 296.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-oxo-1,4-diazepane-1-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(5-oxo-1,4-diazepane-1-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) 0.36 4 -44.95 1 7 -1 93 296.347 3 ↓

Parameters Provided:

ring.id = 311474
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 = 311474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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