UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31076472
31076472
10115203
10115203

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Popular Name: 7-isopropyl-4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10- 7-isopropyl-4-methyl-N-[[2-(trif…

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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) 3.41 1.01 -12.15 1 6 0 69 392.381 6 ↓

Analogs

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Popular Name: 6-isopropyl-N,1,3-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxami 6-isopropyl-N,1,3-trimethyl-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) 3.70 10.84 -14.09 0 5 0 51 404.436 5 ↓

Analogs

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Popular Name: 1-tert-butyl-N-[(2-hydroxyphenyl)methyl]-6-isopropyl-N,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxam 1-tert-butyl-N-[(2-hydroxyphenyl…

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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) 3.93 9.22 -11.24 1 6 0 71 394.519 5 ↓

Analogs

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Popular Name: N-[[3-(dimethylamino)phenyl]methyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide N-[[3-(dimethylamino)phenyl]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) 2.05 7.15 -11.59 1 6 0 63 337.427 4 ↓
Lo Low (pH 4.5-6) 2.05 7.97 -27.21 2 6 0 64 338.435 4 ↓

Analogs

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Popular Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1,6-diisopropyl-pyrazolo[5,4-b]pyridine-4-carboxamide N-[[2-(dimethylsulfamoyl)phenyl]…

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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) 2.82 8.3 -19.89 1 8 0 97 443.573 7 ↓

Parameters Provided:

ring.id = 10422
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 = 10422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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