UCSF
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Analogs

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Popular Name: (2S)-2-(1H-benzimidazol-2-yl)-2H-thiophen-5-imine (2S)-2-(1H-benzimidazol-2-yl)-2H…

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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) 2.08 4.3 -6.73 2 3 0 53 215.281 1 ↓

Analogs

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Popular Name: (2S)-2-(6-methyl-1H-benzimidazol-2-yl)-2H-thiophen-5-imine (2S)-2-(6-methyl-1H-benzimidazol…

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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) 2.50 4.97 -6.56 2 3 0 53 229.308 1 ↓
Lo Low (pH 4.5-6) 2.50 5.35 -32.44 3 3 1 54 230.316 1 ↓

Analogs

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Popular Name: (2S)-2-(6-bromo-1H-benzimidazol-2-yl)-2H-thiophen-5-imine (2S)-2-(6-bromo-1H-benzimidazol-…

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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) 2.86 4.91 -5.49 2 3 0 53 294.177 1 ↓

Analogs

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Popular Name: 4-methyl-5-(6-methyl-1H-benzimidazol-2-yl)thiophen-2-amine 4-methyl-5-(6-methyl-1H-benzimid…

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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) 3.05 5.42 -10.74 2 3 0 53 243.335 1 ↓

Analogs

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Popular Name: 4-methyl-5-(1-propylbenzimidazol-2-yl)thiophen-2-amine 4-methyl-5-(1-propylbenzimidazol…

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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) 3.57 8.08 -11.79 1 3 0 42 271.389 3 ↓
Mid Mid (pH 6-8) 4.26 8.22 -10.1 2 3 0 44 271.389 3 ↓
Lo Low (pH 4.5-6) 3.57 8.49 -27.67 2 3 1 43 272.397 3 ↓

Parameters Provided:

ring.id = 101211
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 = 101211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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