UCSF
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Analogs

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Popular Name: 5-[(3-bromo-4-methoxy-phenyl)methyleneamino]-1,3-dihydrobenzimidazol-2-one 5-[(3-bromo-4-methoxy-phenyl)met…

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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) 3.38 4.58 -13.68 2 5 0 70 346.184 3 ↓
Lo Low (pH 4.5-6) 3.38 4.22 -49.84 3 5 1 72 347.192 3 ↓
Lo Low (pH 4.5-6) 3.38 4.94 -50.35 3 5 1 72 347.192 3 ↓

Analogs

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Popular Name: [4-[(E)-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)iminomethyl]-2-methoxy-phenyl] [4-[(E)-(1,3-dimethyl-2-oxo-benz…

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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) 1.86 9.67 -18.25 0 7 0 75 353.378 5 ↓
Lo Low (pH 4.5-6) 1.86 9.32 -60.4 1 7 1 76 354.386 5 ↓

Analogs

5288134
5288134

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Popular Name: 5-[(E)-(2,5-dimethoxybenzylidene)amino]-1,3-dihydrobenzimidazol-2-one 5-[(E)-(2,5-dimethoxybenzylidene…

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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) 2.62 3.67 -11.86 2 6 0 79 297.314 4 ↓
Lo Low (pH 4.5-6) 2.62 2.89 -41.32 3 6 1 81 298.322 4 ↓
Lo Low (pH 4.5-6) 2.62 3.97 -39.68 3 6 1 81 298.322 4 ↓

Parameters Provided:

ring.id = 40401
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 = 40401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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