UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-ethyl-2-oxo-benzimidazol-1-yl)-N-(2-methyl-2-phenyl-propyl)acetamide 2-(3-ethyl-2-oxo-benzimidazol-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) 3.47 10.83 -20.41 1 5 0 56 351.45 6 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propyl-benzimidazol-1-yl)acetamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 2.95 11.56 -61.87 2 6 1 60 399.49 8 ↓
Hi High (pH 8-9.5) 2.95 9.22 -19.53 1 6 0 59 398.482 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propyl-benzimidazol-1-yl)acetamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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) 2.95 11.53 -60.6 2 6 1 60 399.49 8 ↓
Hi High (pH 8-9.5) 2.95 9.18 -21.02 1 6 0 59 398.482 8 ↓

Analogs

13003631
13003631
13003632
13003632

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(3-ethyl-2-oxo-benzimidazol-1-yl)acetamide N-[(2S)-2-dimethylamino-2-(3-flu…

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) 2.44 10.81 -60.93 2 6 1 60 385.463 7 ↓
Hi High (pH 8-9.5) 2.44 8.47 -21.4 1 6 0 59 384.455 7 ↓

Analogs

13003631
13003631
13003632
13003632

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-2-(3-ethyl-2-oxo-benzimidazol-1-yl)acetamide N-[(2R)-2-dimethylamino-2-(3-flu…

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) 2.44 10.78 -62.63 2 6 1 60 385.463 7 ↓
Hi High (pH 8-9.5) 2.44 8.43 -20.06 1 6 0 59 384.455 7 ↓

Parameters Provided:

ring.id = 12444
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 = 12444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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