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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 5-[(5-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(5-nitro-1H-benzimidazol-2-yl…

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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) 1.99 4.2 -12.69 3 8 0 126 308.348 4 ↓
Hi High (pH 8-9.5) 1.99 3.77 -34.97 2 8 -1 125 307.34 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfanyl-5-methyl-1,3,4-thiadiazole 2-[(1S)-1-[1-(difluoromethyl)ben…

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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) 3.15 7.39 -11.39 0 4 0 44 326.397 4 ↓
Lo Low (pH 4.5-6) 3.15 7.86 -29.99 1 4 1 45 327.405 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfanyl-5-methyl-1,3,4-thiadiazole 2-[(1R)-1-[1-(difluoromethyl)ben…

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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) 3.15 7.4 -10.99 0 4 0 44 326.397 4 ↓
Lo Low (pH 4.5-6) 3.15 7.83 -29.82 1 4 1 45 327.405 4 ↓

Analogs

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Popular Name: 5-[(4-fluoro-1H-benzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 5-[(4-fluoro-1H-benzimidazol-2-y…

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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) 2.17 3.55 -15.14 3 5 0 80 281.341 3 ↓

Analogs

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Popular Name: 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-3H-benzimidazol-5-amine 2-(1,3,4-thiadiazol-2-ylsulfanyl…

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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) 1.50 2.29 -11.7 3 5 0 80 263.351 3 ↓

Analogs

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Popular Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-isopropoxy-1,3,4-thiadiazole 2-(1H-benzimidazol-2-ylmethylsul…

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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) 3.36 4.17 -9.88 1 5 0 64 306.416 5 ↓

Parameters Provided:

ring.id = 73241
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 = 73241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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