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Analogs

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

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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) 5.44 13.53 -9.53 1 5 0 54 451.998 7 ↓

Analogs

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

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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) 5.44 12.67 -10.22 1 5 0 54 451.998 7 ↓

Analogs

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Popular Name: (3S)-2-[2-(3,4-diethoxyphenyl)ethyl]-N-isopentyl-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carboxami (3S)-2-[2-(3,4-diethoxyphenyl)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) 5.16 13.37 -12.27 1 7 0 73 505.659 11 ↓

Analogs

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Popular Name: (3R)-2-[2-(3,4-diethoxyphenyl)ethyl]-N-isopentyl-3-methyl-1-oxo-4H-pyrazino[4,5-a]indole-3-carboxami (3R)-2-[2-(3,4-diethoxyphenyl)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) 5.16 14.03 -12.53 1 7 0 73 505.659 11 ↓

Analogs

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Popular Name: (3S)-N-isopentyl-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-4H-pyrazino[4,5-a]indole-3-carbo (3S)-N-isopentyl-3-methyl-2-[2-(…

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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) 5.20 13.19 -11.24 1 5 0 54 463.647 8 ↓

Analogs

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Popular Name: (3R)-N-isopentyl-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-4H-pyrazino[4,5-a]indole-3-carbo (3R)-N-isopentyl-3-methyl-2-[2-(…

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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) 5.20 14.05 -10.46 1 5 0 54 463.647 8 ↓

Analogs

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

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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) 5.39 13.35 -9.75 1 5 0 54 451.998 7 ↓

Analogs

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

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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) 5.39 12.49 -8.81 1 5 0 54 451.998 7 ↓

Analogs

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Popular Name: (3S)-N-(3-isopropoxypropyl)-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-4H-pyrazino[4,5-a]ind (3S)-N-(3-isopropoxypropyl)-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) 4.54 12.7 -12.56 1 6 0 64 493.673 10 ↓

Analogs

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Popular Name: (3R)-N-(3-isopropoxypropyl)-3-methyl-2-[2-(4-methylsulfanylphenyl)ethyl]-1-oxo-4H-pyrazino[4,5-a]ind (3R)-N-(3-isopropoxypropyl)-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) 4.54 13.56 -11.47 1 6 0 64 493.673 10 ↓

Parameters Provided:

ring.id = 83862
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 = 83862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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