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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-2-[(5-chloro-1-methyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile 4-amino-2-[(5-chloro-1-methyl-be…

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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) 2.74 6.9 -11.61 2 6 0 93 330.804 3 ↓
Lo Low (pH 4.5-6) 2.74 7.34 -35.07 3 6 1 95 331.812 3 ↓

Analogs

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Popular Name: 2-[(4-fluoro-1H-benzimidazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine 2-[(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) 2.23 3.13 -15.11 5 6 0 107 290.327 3 ↓

Analogs

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Popular Name: 2-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine 2-[(1-ethyl-5-fluoro-benzimidazo…

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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) 2.69 5.7 -12.56 4 6 0 96 318.381 4 ↓
Lo Low (pH 4.5-6) 2.69 6.14 -30.6 5 6 1 97 319.389 4 ↓

Analogs

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Popular Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one 2-[(6-amino-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) 2.08 0.78 -50.15 3 6 -1 104 286.34 3 ↓

Analogs

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Popular Name: 2-(pyrimidin-2-ylsulfanylmethyl)-3H-benzimidazol-5-amine 2-(pyrimidin-2-ylsulfanylmethyl)…

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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) 1.51 3.44 -12.63 3 5 0 80 257.322 3 ↓

Analogs

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Popular Name: 2-[(6-amino-1H-benzimidazol-2-yl)methylsulfanyl]pyrimidin-4-ol 2-[(6-amino-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) 1.64 0.08 -50.91 3 6 -1 104 272.313 3 ↓
Mid Mid (pH 6-8) 1.18 1.57 -23.36 4 6 0 100 273.321 3 ↓
Lo Low (pH 4.5-6) 1.18 2.59 -39.62 5 6 1 102 274.329 3 ↓

Parameters Provided:

ring.id = 78506
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 = 78506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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