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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: (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-1H-benzimidazol-5-yl)acetyl]pyrrolidine-2-carboxamide (2S,4R)-4-amino-N,N-diethyl-1-[2…

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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) 0.11 5.51 -76.84 4 7 1 97 358.466 5 ↓
Hi High (pH 8-9.5) 0.11 5.23 -23.83 3 7 0 95 357.458 5 ↓
Lo Low (pH 4.5-6) 0.11 5.95 -100.8 5 7 2 98 359.474 5 ↓

Analogs

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Popular Name: methyl methyl

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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 8.19 -61.62 2 7 1 80 345.423 5 ↓
Hi High (pH 8-9.5) 1.02 5.8 -18.65 1 7 0 79 344.415 5 ↓
Lo Low (pH 4.5-6) 1.02 8.63 -91.47 3 7 2 81 346.431 5 ↓

Parameters Provided:

ring.id = 583942
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 = 583942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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