UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-N-(cyclohexylmethyl)-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (1S)-N-(cyclohexylmethyl)-2-ethy…

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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) 3.01 8.57 -11.79 1 4 0 49 314.429 4 ↓

Analogs

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Popular Name: (1R)-N-(cyclohexylmethyl)-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (1R)-N-(cyclohexylmethyl)-2-ethy…

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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) 3.01 8.83 -13.02 1 4 0 49 314.429 4 ↓

Analogs

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Popular Name: (1S)-N-(cyclohexylmethyl)-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide (1S)-N-(cyclohexylmethyl)-3-oxo-…

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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) 3.51 9.34 -11.82 1 4 0 49 328.456 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclohexylmethyl)-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide (1R)-N-(cyclohexylmethyl)-3-oxo-…

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) 3.51 9.57 -13.02 1 4 0 49 328.456 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (1S)-N-(cyclohexylmethyl)-2-(2-m…

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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) 2.62 7.71 -10.82 1 5 0 59 344.455 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (1R)-N-(cyclohexylmethyl)-2-(2-m…

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) 2.62 8.11 -16.46 1 5 0 59 344.455 6 ↓

Parameters Provided:

ring.id = 382137
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 = 382137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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