UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13012243
13012243

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Popular Name: N-[(1R)-1-benzyl-2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]benzamide N-[(1R)-1-benzyl-2-[(4-fluorophe…

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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) 3.84 11.27 -12.66 1 4 0 49 390.458 7 ↓

Analogs

13012242
13012242

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Popular Name: N-[(1S)-1-benzyl-2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]benzamide N-[(1S)-1-benzyl-2-[(4-fluorophe…

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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) 3.84 11.31 -11.51 1 4 0 49 390.458 7 ↓

Analogs

34949450
34949450
34949452
34949452
34949455
34949455
34949457
34949457
34949477
34949477

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

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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) 3.99 10.26 -11.35 2 4 0 58 372.468 7 ↓

Analogs

34949450
34949450
34949452
34949452
34949455
34949455
34949457
34949457
34949477
34949477

Draw Identity 99% 90% 80% 70%

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

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) 3.99 10.26 -11.7 2 4 0 58 372.468 7 ↓

Analogs

34949477
34949477
34949478
34949478
34949480
34949480
34949482
34949482
34949535
34949535

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

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) 3.99 10.26 -11.72 2 4 0 58 372.468 7 ↓

Analogs

34949477
34949477
34949478
34949478
34949480
34949480
34949482
34949482
34949535
34949535

Draw Identity 99% 90% 80% 70%

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

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) 3.99 10.26 -11.29 2 4 0 58 372.468 7 ↓

Parameters Provided:

ring.id = 112342
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 = 112342 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=112342&filter.purchasability=annotated

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