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

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R)-2-(aminomethyl)cyclohexyl]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) 0.98 6.26 -58.05 3 4 1 63 258.345 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R)-2-(aminomethyl)cyclohexyl]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) 0.98 5.82 -53.79 3 4 1 63 258.345 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S)-2-(aminomethyl)cyclohexyl]cinnolin-4-one 1-[(1R,2S)-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) 0.98 5.78 -54.58 3 4 1 63 258.345 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

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

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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) 0.98 6.26 -58.04 3 4 1 63 258.345 2 ↓

Analogs

43472145
43472145
43472147
43472147

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,5R)-2-(aminomethyl)-5-methyl-cyclohexyl]cinnolin-4-one 1-[(1R,2R,5R)-2-(aminomethyl)-5-…

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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) 0.99 6.42 -57.53 3 4 1 63 272.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,5S)-2-(aminomethyl)-5-methyl-cyclohexyl]cinnolin-4-one 1-[(1R,2R,5S)-2-(aminomethyl)-5-…

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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) 0.99 6.86 -58.56 3 4 1 63 272.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,5R)-2-(aminomethyl)-5-methyl-cyclohexyl]cinnolin-4-one 1-[(1R,2S,5R)-2-(aminomethyl)-5-…

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) 0.99 6.39 -55.24 3 4 1 63 272.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,5S)-2-(aminomethyl)-5-methyl-cyclohexyl]cinnolin-4-one 1-[(1R,2S,5S)-2-(aminomethyl)-5-…

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) 0.99 6.14 -54.96 3 4 1 63 272.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,5R)-2-(aminomethyl)-5-ethyl-cyclohexyl]cinnolin-4-one 1-[(1R,2R,5R)-2-(aminomethyl)-5-…

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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) 1.67 6.86 -52.66 3 4 1 63 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,5S)-2-(aminomethyl)-5-ethyl-cyclohexyl]cinnolin-4-one 1-[(1R,2R,5S)-2-(aminomethyl)-5-…

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) 1.67 7.51 -58.78 3 4 1 63 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,5R)-2-(aminomethyl)-5-ethyl-cyclohexyl]cinnolin-4-one 1-[(1R,2S,5R)-2-(aminomethyl)-5-…

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) 1.67 7.04 -55.52 3 4 1 63 286.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,5S)-2-(aminomethyl)-5-ethyl-cyclohexyl]cinnolin-4-one 1-[(1R,2S,5S)-2-(aminomethyl)-5-…

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) 1.67 7.08 -64.02 3 4 1 63 286.399 3 ↓

Parameters Provided:

ring.id = 115888
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 = 115888 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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