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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20230296
20230296

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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) 2.19 8.3 -17.45 1 10 0 116 479.463 8 ↓
Mid Mid (pH 6-8) 2.19 10.46 -57.28 2 10 1 118 480.471 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.28 8.15 -16.83 1 10 0 116 425.493 7 ↓
Mid Mid (pH 6-8) 1.28 10.33 -53.29 2 10 1 118 426.501 7 ↓

Analogs

43999515
43999515

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Popular Name: 2-[4-[5-cyano-4,6-bis(dimethylamino)-2-pyridyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide 2-[4-[5-cyano-4,6-bis(dimethylam…

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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) 1.18 8.8 -41.45 2 10 1 98 426.549 6 ↓
Mid Mid (pH 6-8) 1.18 10.44 -119.41 3 10 2 99 427.557 6 ↓

Analogs

43999515
43999515

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Popular Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide 2-[4-(3-cyano-2-pyridyl)piperazi…

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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) 0.70 5.81 -18.57 1 8 0 90 339.403 4 ↓
Mid Mid (pH 6-8) 0.70 7.95 -52.38 2 8 1 91 340.411 4 ↓

Analogs

43999515
43999515

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-cyano-2-pyridyl)piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide 2-[4-(5-cyano-2-pyridyl)piperazi…

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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) 0.76 5.8 -15.9 1 8 0 90 339.403 4 ↓
Mid Mid (pH 6-8) 0.76 7.95 -58.87 2 8 1 91 340.411 4 ↓

Parameters Provided:

ring.id = 247523
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 = 247523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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