UCSF
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Analogs

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Popular Name: 4-nitro-1-methyl-N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-1H-pyrazole-3-carboxamide 4-nitro-1-methyl-N-{1-[2-(1-pipe…

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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 12.28 -54.3 2 10 1 118 398.447 5 ↓
Hi High (pH 8-9.5) 2.40 10.07 -19.44 1 10 0 117 397.439 5 ↓

Analogs

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Popular Name: 4-chloro-1-ethyl-N-[1-[2-(1-piperidyl)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide 4-chloro-1-ethyl-N-[1-[2-(1-pipe…

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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) 3.49 12.13 -47.47 2 7 1 72 401.922 5 ↓
Hi High (pH 8-9.5) 3.49 9.92 -15.14 1 7 0 71 400.914 5 ↓

Analogs

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Popular Name: 4-chloro-1,5-dimethyl-N-[1-[2-(1-piperidyl)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide 4-chloro-1,5-dimethyl-N-[1-[2-(1…

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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) 3.34 11.76 -48.11 2 7 1 72 401.922 4 ↓
Hi High (pH 8-9.5) 3.34 9.54 -15.79 1 7 0 71 400.914 4 ↓

Parameters Provided:

ring.id = 381597
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 = 381597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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