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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: N-ethyl-N-[4-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methy N-ethyl-N-[4-[[4-(6,7,8,9-tetrah…

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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) 0.98 7.42 -24.25 0 8 0 70 417.583 6 ↓
Mid Mid (pH 6-8) 0.98 9.67 -52 1 8 1 72 418.591 6 ↓
Lo Low (pH 4.5-6) 0.98 9.61 -48.51 1 8 1 72 418.591 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.96 6.16 -19.52 0 8 0 76 404.54 7 ↓
Mid Mid (pH 6-8) 0.96 8.45 -55.56 1 8 1 78 405.548 7 ↓
Lo Low (pH 4.5-6) 0.96 8.39 -48.39 1 8 1 78 405.548 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]methyl]thiazole 4-[[4-(6,7,8,9-tetrahydro-5H-[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) 1.02 4.61 -13.97 0 6 0 50 332.477 4 ↓
Mid Mid (pH 6-8) 1.02 6.9 -47.23 1 6 1 51 333.485 4 ↓
Lo Low (pH 4.5-6) 1.02 6.83 -43.57 1 6 1 51 333.485 4 ↓

Parameters Provided:

ring.id = 178335
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 = 178335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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