UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(4-cyclopropylpiperazin-1-yl)-5-methyl-pyridin-3-amine 6-(4-cyclopropylpiperazin-1-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) 1.43 6.31 -31.94 3 4 1 47 233.339 2 ↓
Hi High (pH 8-9.5) 1.43 3.94 -5.25 2 4 0 45 232.331 2 ↓
Mid Mid (pH 6-8) 1.43 6.78 -82.26 4 4 2 48 234.347 2 ↓

Analogs

41684206
41684206
41684207
41684207
41684222
41684222
34871771
34871771

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Popular Name: 1-cyclopropyl-4-(3-nitro-2-pyridyl)piperazine 1-cyclopropyl-4-(3-nitro-2-pyrid…

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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) 1.31 8.59 -36.22 1 6 1 66 249.294 3 ↓
Mid Mid (pH 6-8) 1.31 6.22 -8.54 0 6 0 65 248.286 3 ↓

Analogs

31961591
31961591

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Popular Name: 1-cyclopropyl-4-(5-nitro-2-pyridyl)piperazine 1-cyclopropyl-4-(5-nitro-2-pyrid…

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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) 1.53 8.31 -44.74 1 6 1 66 249.294 3 ↓
Mid Mid (pH 6-8) 1.53 6.1 -6.6 0 6 0 65 248.286 3 ↓

Parameters Provided:

ring.id = 22609
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 = 22609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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