UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-(1H-benzimidazol-2-ylmethyl…

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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) 1.73 4.43 -16.53 1 6 0 76 295.224 4 ↓
Lo Low (pH 4.5-6) 1.73 5.03 -43.83 2 6 1 78 296.232 4 ↓

Analogs

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Popular Name: 2-[1-(1H-benzimidazol-2-ylmethyl)triazol-4-yl]propan-2-amine 2-[1-(1H-benzimidazol-2-ylmethyl…

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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) 1.47 2.79 -58.33 4 6 1 87 257.321 3 ↓
Hi High (pH 8-9.5) 1.47 2.54 -15.45 3 6 0 85 256.313 3 ↓
Lo Low (pH 4.5-6) 1.47 3.27 -103.95 5 6 2 88 258.329 3 ↓

Parameters Provided:

ring.id = 103883
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 = 103883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=103883&filter.purchasability=annotated

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