UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-isopropyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoxazolo[4,5-e]pyridine-5-carboxamide 3-isopropyl-N-methyl-N-[[4-(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) 3.35 8.17 -13.96 0 5 0 59 377.366 5 ↓

Analogs

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Popular Name: 3-isopropyl-N-methyl-N-(o-tolylmethyl)isoxazolo[4,5-e]pyridine-5-carboxamide 3-isopropyl-N-methyl-N-(o-tolylm…

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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) 2.86 8.39 -12.12 0 5 0 59 323.396 4 ↓

Analogs

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Popular Name: 3-isopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-isoxazolo[4,5-e]pyridine-5-carboxamide 3-isopropyl-N-[(4-methoxyphenyl)…

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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) 2.51 6.49 -13.63 0 6 0 68 339.395 5 ↓

Analogs

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Popular Name: N-[1-(2,6-dichlorophenyl)-1-methyl-ethyl]-3-methyl-isoxazolo[5,4-b]pyridine-5-carboxamide N-[1-(2,6-dichlorophenyl)-1-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) 3.89 6.17 -10.3 1 5 0 68 364.232 3 ↓

Analogs

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Popular Name: N-[1-(4-chlorophenyl)-1-ethyl-propyl]-3-methyl-isoxazolo[5,4-b]pyridine-5-carboxamide N-[1-(4-chlorophenyl)-1-ethyl-pr…

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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) 4.31 7.15 -11.13 1 5 0 68 357.841 5 ↓

Analogs

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Popular Name: N-[[3-(dimethylamino)phenyl]methyl]-3-methyl-isoxazolo[5,4-b]pyridine-5-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) 1.70 4.01 -11.89 1 6 0 71 310.357 4 ↓
Lo Low (pH 4.5-6) 1.70 4.8 -25.5 2 6 0 72 311.365 4 ↓

Analogs

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Popular Name: N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-methyl-isoxazolo[5,4-b]pyridine-5-carboxamide N-[[3-(2,2-difluoroethoxy)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) 2.23 4.18 -16.96 1 6 0 77 347.321 6 ↓

Analogs

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Popular Name: N-[(4-methoxy-3,5-dimethyl-phenyl)methyl]-N,3-dimethyl-isoxazolo[5,4-b]pyridine-5-carboxamide N-[(4-methoxy-3,5-dimethyl-pheny…

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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) 2.21 6.08 -17.87 0 6 0 68 339.395 4 ↓

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) 1.67 4.7 -14.57 1 7 0 94 325.324 5 ↓

Parameters Provided:

ring.id = 100960
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 = 100960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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