UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43411221
43411221
45688710
45688710
45688713
45688713
36170637
36170637

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Popular Name: 2-(cyclopropylmethoxy)-6-(4-methylpiperazin-1-yl)pyridin-3-amine 2-(cyclopropylmethoxy)-6-(4-meth…

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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) 1.74 5.37 -38.78 3 5 1 56 263.365 4 ↓
Mid Mid (pH 6-8) 1.74 2.99 -5.65 2 5 0 55 262.357 4 ↓

Analogs

45688701
45688701
45688704
45688704
45688710
45688710
45688713
45688713
45689321
45689321

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Popular Name: 2-(cyclopropylmethoxy)-6-(4-propylpiperazin-1-yl)pyridin-3-amine 2-(cyclopropylmethoxy)-6-(4-prop…

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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) 2.61 6.77 -37.89 3 5 1 56 291.419 6 ↓
Mid Mid (pH 6-8) 2.61 4.53 -5.24 2 5 0 55 290.411 6 ↓

Analogs

43411221
43411221
45688710
45688710
45688713
45688713
36170637
36170637

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethoxy)-6-(4-ethylpiperazin-1-yl)pyridin-3-amine 2-(cyclopropylmethoxy)-6-(4-ethy…

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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) 2.11 6.03 -37.21 3 5 1 56 277.392 5 ↓
Mid Mid (pH 6-8) 2.11 3.79 -5.41 2 5 0 55 276.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[5-amino-6-(cyclopropylmethoxy)-2-pyridyl]piperazin-1-yl]ethanone 1-[4-[5-amino-6-(cyclopropylmeth…

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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) 1.10 4.35 -12.34 2 6 0 72 290.367 4 ↓

Parameters Provided:

ring.id = 130542
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 = 130542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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