UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12976115
12976115
12976117
12976117

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Popular Name: 1-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-propyl-benzimidazol-2-one 1-[(2S)-2-hydroxy-2-phenyl-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) 2.90 8.49 -13.73 1 4 0 47 296.37 5 ↓

Analogs

12976115
12976115
12976117
12976117

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-propyl-benzimidazol-2-one 1-[(2R)-2-hydroxy-2-phenyl-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) 2.90 8.56 -13.8 1 4 0 47 296.37 5 ↓

Analogs

12976115
12976115
12976117
12976117

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[(2R)-2-hydroxy-2-phenyl-ethyl]benzimidazol-2-one 1-ethyl-3-[(2R)-2-hydroxy-2-phen…

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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) 2.40 8.02 -12.78 1 4 0 47 282.343 4 ↓

Analogs

12976115
12976115
12976117
12976117

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[(2S)-2-hydroxy-2-phenyl-ethyl]benzimidazol-2-one 1-ethyl-3-[(2S)-2-hydroxy-2-phen…

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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) 2.40 7.88 -11.21 1 4 0 47 282.343 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxy-ethyl]-3-methyl-benzimidazol-2-one 1-[(2R)-2-(2,5-dimethoxyphenyl)-…

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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) 2.06 5.76 -14.99 1 6 0 66 328.368 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxy-ethyl]-3-methyl-benzimidazol-2-one 1-[(2S)-2-(2,5-dimethoxyphenyl)-…

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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) 2.06 5.64 -13.55 1 6 0 66 328.368 5 ↓

Analogs

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Popular Name: 3-[2-(dimethylamino)-2-oxo-ethyl]-2-oxo-1-phenethyl-benzimidazole-5-carboxylic 3-[2-(dimethylamino)-2-oxo-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) 1.81 11.39 -56.08 0 7 -1 87 366.397 6 ↓

Analogs

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Popular Name: 3-[(2R)-2,3-dihydroxypropyl]-2-oxo-1-phenethyl-benzimidazole-5-carboxylic 3-[(2R)-2,3-dihydroxypropyl]-2-o…

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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) 1.62 5.99 -51.67 2 7 -1 108 355.37 7 ↓

Analogs

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Popular Name: 3-(4-hydroxybutyl)-2-oxo-1-phenethyl-benzimidazole-5-carboxylic 3-(4-hydroxybutyl)-2-oxo-1-phene…

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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) 2.81 9.85 -48.35 1 6 -1 87 353.398 8 ↓

Parameters Provided:

ring.id = 12564
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 = 12564 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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