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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(azepan-1-yl)-1-cyclopropyl-ethanone 2-(azepan-1-yl)-1-cyclopropyl-et…

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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) 1.80 7.6 -35.03 1 2 1 22 182.287 3 ↓
Hi High (pH 8-9.5) 1.80 5.58 -5.35 0 2 0 20 181.279 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-[(4R)-4-methylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4R)-4-methylaz…

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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) 1.80 8.24 -35.65 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 1.80 6.42 -5.2 0 2 0 20 195.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(4S)-4-methylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4S)-4-methylaz…

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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) 1.80 8.14 -36.17 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 1.80 6.11 -5.29 0 2 0 20 195.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2R)-2-methylazepan-1-yl]ethanone 1-cyclopropyl-2-[(2R)-2-methylaz…

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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) 2.12 7.9 -32.47 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 2.12 5.95 -5.31 0 2 0 20 195.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-[(2S)-2-methylazepan-1-yl]ethanone 1-cyclopropyl-2-[(2S)-2-methylaz…

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) 2.12 7.9 -32.49 1 2 1 22 196.314 3 ↓
Hi High (pH 8-9.5) 2.12 5.95 -5.28 0 2 0 20 195.306 3 ↓

Parameters Provided:

ring.id = 243736
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 = 243736 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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