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

Analogs

15676939
15676939
15676940
15676940

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Popular Name: (3S)-N-cyclohexyl-2-(2-dimethylaminoethyl)-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carboxamide (3S)-N-cyclohexyl-2-(2-dimethyla…

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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) 3.24 10.5 -42.56 2 6 1 59 397.543 5 ↓
Hi High (pH 8-9.5) 3.24 7.99 -9.18 1 6 0 58 396.535 5 ↓

Analogs

15676939
15676939
15676940
15676940

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-2-(2-dimethylaminoethyl)-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carboxamide (3R)-N-cyclohexyl-2-(2-dimethyla…

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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) 3.24 11.29 -43.19 2 6 1 59 397.543 5 ↓
Hi High (pH 8-9.5) 3.24 8.82 -9.84 1 6 0 58 396.535 5 ↓

Analogs

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Popular Name: (3S)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-sec-butyl-4H-pyrazino[4,5-a]indole-3-carboxamide (3S)-N-cyclohexyl-7-methoxy-3-me…

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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) 4.45 10.29 -9.02 1 6 0 64 411.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-sec-butyl-4H-pyrazino[4,5-a]indole-3-carboxamide (3S)-N-cyclohexyl-7-methoxy-3-me…

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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) 4.45 10 -9.3 1 6 0 64 411.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-sec-butyl-4H-pyrazino[4,5-a]indole-3-carboxamide (3R)-N-cyclohexyl-7-methoxy-3-me…

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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) 4.45 10.43 -9.41 1 6 0 64 411.546 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-sec-butyl-4H-pyrazino[4,5-a]indole-3-carboxamide (3R)-N-cyclohexyl-7-methoxy-3-me…

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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) 4.45 10.66 -12.01 1 6 0 64 411.546 5 ↓

Analogs

20902953
20902953
20902955
20902955

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclohexyl-2-(3-diethylaminopropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carbo (3S)-N-cyclohexyl-2-(3-diethylam…

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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) 4.30 11.88 -44.12 2 7 1 68 469.65 9 ↓

Analogs

20902953
20902953
20902955
20902955

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclohexyl-2-(3-diethylaminopropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carbo (3R)-N-cyclohexyl-2-(3-diethylam…

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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) 4.30 12.4 -47.82 2 7 1 68 469.65 9 ↓

Parameters Provided:

ring.id = 83742
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 = 83742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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