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

Analogs

12214784
12214784
12214786
12214786
12214787
12214787

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[(1S)-1-…

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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) 3.31 1.73 -13.85 1 7 0 86 366.421 7 ↓

Analogs

12214786
12214786
12214787
12214787
12214783
12214783

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[(1S)-1-…

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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) 3.31 1.66 -14.11 1 7 0 86 366.421 7 ↓

Analogs

12214787
12214787
12214783
12214783
12214784
12214784

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[(1R)-1-…

Find On: PubMed — Wikipedia — Google

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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) 3.31 1.73 -14.22 1 7 0 86 366.421 7 ↓

Analogs

12214783
12214783
12214784
12214784
12214786
12214786

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[(1R)-1-…

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) 3.31 1.66 -13.78 1 7 0 86 366.421 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl] [2-[(2-chloro-6-fluoro-phenyl)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) 3.37 3.11 -13.4 0 7 0 77 404.829 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] [2-[(4-fluorophenyl)methyl-methy…

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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) 2.79 3.4 -15.73 0 7 0 77 370.384 7 ↓

Analogs

12214926
12214926

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-(4-bromophenyl)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) 3.75 0.61 -14.32 1 7 0 86 431.29 7 ↓

Analogs

12214925
12214925

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-(4-bromophenyl)ethyl…

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) 3.75 0.61 -14.32 1 7 0 86 431.29 7 ↓

Parameters Provided:

ring.id = 90409
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 = 90409 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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