UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-4-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1S)-2-cyclopropyl-1-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) 1.09 7.95 -39.4 2 3 1 37 259.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1R)-2-cyclopropyl-1-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) 1.09 8.07 -39.74 2 3 1 37 259.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1S)-2-cyclopropyl-1-me…

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) 1.09 8.2 -44 2 3 1 37 259.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1R)-2-cyclopropyl-1-me…

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) 1.09 7.53 -46.37 2 3 1 37 259.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1S)-1-(cyclopropylmeth…

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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) 1.62 8.46 -35.75 2 3 1 37 273.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4R)-4-[[(1R)-1-(cyclopropylmeth…

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) 1.62 8.68 -39.92 2 3 1 37 273.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1S)-1-(cyclopropylmeth…

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) 1.62 8.85 -44.36 2 3 1 37 273.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-3,4-dihydroquinolin-2-one (4S)-4-[[(1R)-1-(cyclopropylmeth…

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) 1.62 8.67 -43.84 2 3 1 37 273.4 5 ↓

Parameters Provided:

ring.id = 521920
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 = 521920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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