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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: methyl methyl

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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) 0.83 1.95 -17.83 1 8 0 94 364.427 6 ↓
Mid Mid (pH 6-8) 0.83 4.21 -71.03 2 8 1 95 365.435 6 ↓

Analogs

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Popular Name: N-allyl-5-benzyl-N-prop-2-ynyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide N-allyl-5-benzyl-N-prop-2-ynyl-6…

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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) 2.17 8.67 -11.56 0 5 0 41 334.423 6 ↓
Mid Mid (pH 6-8) 2.17 10.93 -55.43 1 5 1 43 335.431 6 ↓

Analogs

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Popular Name: N-(2-hydroxyethyl)-5-[(2-prop-2-ynoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxa N-(2-hydroxyethyl)-5-[(2-prop-2-…

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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) 0.66 1.75 -14.56 2 7 0 80 354.41 7 ↓
Mid Mid (pH 6-8) 0.66 4.02 -51.63 3 7 1 81 355.418 7 ↓

Analogs

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Popular Name: 5-[(3,5-difluorophenyl)methyl]-N-(2-dimethylaminoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-car 5-[(3,5-difluorophenyl)methyl]-N…

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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) 1.41 5.62 -44.58 2 6 1 55 364.42 6 ↓
Hi High (pH 8-9.5) 1.41 3.14 -13.01 1 6 0 53 363.412 6 ↓
Lo Low (pH 4.5-6) 1.41 7.87 -106.16 3 6 2 56 365.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide 5-benzyl-N-(2-hydroxyethyl)-6,7-…

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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) 0.49 0.87 -13.06 2 6 0 70 300.362 5 ↓
Mid Mid (pH 6-8) 0.49 3.13 -56.64 3 6 1 72 301.37 5 ↓

Parameters Provided:

ring.id = 401155
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 = 401155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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