UCSF
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Analogs

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Popular Name: 5-[(1S)-1-(1H-imidazol-5-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-(1H-imidazol-5-ylmethy…

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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) 0.79 3.27 -50.93 5 6 1 94 258.305 4 ↓
Mid Mid (pH 6-8) 0.79 2.16 -11.84 4 6 0 89 257.297 4 ↓
Mid Mid (pH 6-8) 0.79 2.65 -42.68 5 6 1 91 258.305 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-(1H-imidazol-5-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-(1H-imidazol-5-ylmethy…

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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) 0.79 3.26 -50.45 5 6 1 94 258.305 4 ↓
Mid Mid (pH 6-8) 0.79 2.17 -11.87 4 6 0 89 257.297 4 ↓
Mid Mid (pH 6-8) 0.79 2.65 -43.8 5 6 1 91 258.305 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-[(4-methyl-1H-imidazol-5-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-[(4-methyl-1H-imidazol…

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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) 1.02 3.81 -50.7 5 6 1 94 272.332 4 ↓
Hi High (pH 8-9.5) 1.02 2.68 -13.13 4 6 0 89 271.324 4 ↓
Mid Mid (pH 6-8) 1.02 4.25 -122.04 6 6 2 95 273.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-[(4-methyl-1H-imidazol-5-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-1-[(4-methyl-1H-imidazol…

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) 1.02 3.81 -50.18 5 6 1 94 272.332 4 ↓
Hi High (pH 8-9.5) 1.02 2.67 -12.42 4 6 0 89 271.324 4 ↓
Mid Mid (pH 6-8) 1.02 4.25 -121.92 6 6 2 95 273.34 4 ↓

Parameters Provided:

ring.id = 152788
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 = 152788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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