UCSF
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Analogs

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Popular Name: 6-[(2S)-6-hydroxy-2,6-dimethyl-heptyl]-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-[(2S)-6-hydroxy-2,6-dimethyl-h…

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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) 2.77 3.51 -12.39 4 6 0 98 316.405 6 ↓
Lo Low (pH 4.5-6) 2.77 3.38 -41.82 5 6 1 99 317.413 6 ↓

Analogs

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Popular Name: 6-[(2R)-6-hydroxy-2,6-dimethyl-heptyl]-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-[(2R)-6-hydroxy-2,6-dimethyl-h…

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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) 2.77 2.81 -12.83 4 6 0 98 316.405 6 ↓
Lo Low (pH 4.5-6) 2.77 3.37 -41.79 5 6 1 99 317.413 6 ↓

Analogs

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Popular Name: 2-(2-oxo-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-6-yl)benzonitrile 2-(2-oxo-3,7-dihydro-1H-imidazo[…

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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) 2.34 4.45 -18.68 3 6 0 101 275.271 1 ↓
Lo Low (pH 4.5-6) 2.34 4.46 -38.45 4 6 1 102 276.279 1 ↓

Analogs

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Popular Name: 6-(1,3-dimethyl-5-morpholino-pyrazol-4-yl)-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-(1,3-dimethyl-5-morpholino-pyr…

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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) 1.30 4.17 -12.53 3 9 0 108 353.386 2 ↓
Lo Low (pH 4.5-6) 1.30 3.7 -37.02 4 9 1 109 354.394 2 ↓

Analogs

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Popular Name: 6-[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-[3-(hydroxymethyl)-2,4,6-trime…

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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) 3.10 3.68 -13.31 4 6 0 98 322.368 2 ↓
Lo Low (pH 4.5-6) 3.10 3.23 -36.04 5 6 1 99 323.376 2 ↓

Analogs

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Popular Name: 6-(4-methoxy-2,5-dimethyl-phenyl)-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-(4-methoxy-2,5-dimethyl-phenyl…

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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) 3.44 5.04 -11.35 3 6 0 87 308.341 2 ↓
Lo Low (pH 4.5-6) 3.44 4.94 -37.53 4 6 1 88 309.349 2 ↓

Analogs

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Popular Name: 6-[2-(2-methoxyphenyl)pyrimidin-5-yl]-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-[2-(2-methoxyphenyl)pyrimidin-…

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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) 2.98 4.97 -15.8 3 8 0 112 358.361 3 ↓
Lo Low (pH 4.5-6) 2.98 5.39 -44.83 4 8 1 114 359.369 3 ↓

Analogs

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Popular Name: 6-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-[4-ethoxy-3-(hydroxymethyl)phe…

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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) 2.33 1.65 -14.95 4 7 0 107 324.34 4 ↓
Lo Low (pH 4.5-6) 2.33 2.07 -37.88 5 7 1 108 325.348 4 ↓

Analogs

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Popular Name: 6-(3,5-dichloro-4-pyridyl)-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-(3,5-dichloro-4-pyridyl)-3,5-d…

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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) 2.99 3.61 -9.82 3 6 0 90 320.139 1 ↓

Analogs

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Popular Name: 6-(2-prop-2-ynoxyphenyl)-3,7-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one 6-(2-prop-2-ynoxyphenyl)-3,7-dih…

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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) 2.80 5.05 -15.81 3 6 0 87 304.309 3 ↓
Lo Low (pH 4.5-6) 2.80 5.2 -34.29 4 6 1 88 305.317 3 ↓

Parameters Provided:

ring.id = 393478
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 = 393478 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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