UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (3S)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(3R)-2-oxoazepa…

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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) 0.28 1.42 -51.63 4 5 1 75 240.327 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(3R)-2-oxoazepa…

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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) 0.28 1.41 -51.4 4 5 1 75 240.327 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3S)-3-methyl-N-[(3S)-2-oxoazepa…

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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) 0.28 0.84 -45.31 4 5 1 75 240.327 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3R)-3-methyl-N-[(3S)-2-oxoazepa…

Find On: PubMed — Wikipedia — Google

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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) 0.28 0.75 -41.98 4 5 1 75 240.327 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-[(3R)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(3R)-2-oxoazepan…

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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) 0.62 1.93 -52.23 4 5 1 75 254.354 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-[(3R)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(3R)-2-oxoazepan…

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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) 0.62 2.17 -51.03 4 5 1 75 254.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3S)-3-ethyl-N-[(3S)-2-oxoazepan…

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) 0.62 1.25 -45.16 4 5 1 75 254.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-[(3S)-2-oxoazepan-3-yl]pyrrolidine-3-carboxamide (3R)-3-ethyl-N-[(3S)-2-oxoazepan…

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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) 0.62 1.35 -39.6 4 5 1 75 254.354 3 ↓

Analogs

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Popular Name: (3S)-N-[(3R)-2-oxoazepan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(3R)-2-oxoazepan-3-yl]-3…

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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 2.69 -52.64 4 5 1 75 268.381 4 ↓

Analogs

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Popular Name: (3R)-N-[(3R)-2-oxoazepan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(3R)-2-oxoazepan-3-yl]-3…

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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 2.93 -51.69 4 5 1 75 268.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3S)-N-[(3S)-2-oxoazepan-3-yl]-3…

Find On: PubMed — Wikipedia — Google

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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 2.03 -45.52 4 5 1 75 268.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-pyrrolidine-3-carboxamide (3R)-N-[(3S)-2-oxoazepan-3-yl]-3…

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) 1.18 2.12 -39.78 4 5 1 75 268.381 4 ↓

Parameters Provided:

ring.id = 301194
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 = 301194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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