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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-(aminomethyl)cycloheptyl]cinnolin-4-one 1-[(1R,2R)-2-(aminomethyl)cycloh…

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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) 1.49 6.57 -55.38 3 4 1 63 272.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R)-2-(aminomethyl)cycloheptyl]cinnolin-4-one 1-[(1S,2R)-2-(aminomethyl)cycloh…

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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) 1.49 6.43 -52.73 3 4 1 63 272.372 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S)-2-(aminomethyl)cycloheptyl]cinnolin-4-one 1-[(1R,2S)-2-(aminomethyl)cycloh…

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) 1.49 6.2 -54.55 3 4 1 63 272.372 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S)-2-(aminomethyl)cycloheptyl]cinnolin-4-one 1-[(1S,2S)-2-(aminomethyl)cycloh…

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) 1.49 6.59 -54.7 3 4 1 63 272.372 2 ↓

Parameters Provided:

ring.id = 115892
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 = 115892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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