UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7007193
7007193

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Popular Name: 5-[[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-isoxazolo[3,2-b]pyrimidin-7-o 5-[[5-(2-methoxyphenyl)-4H-1,2,4…

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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) 2.89 9.19 -24.05 1 8 0 98 369.406 5 ↓
Hi High (pH 8-9.5) 2.89 9.03 -58.32 0 8 -1 97 368.398 5 ↓

Analogs

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Popular Name: 4-[(2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]-2-(o-tolyl)-6H-pyrazolo[5,1-f][1,3 4-[(2-methyl-7-oxo-isoxazolo[2,3…

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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) 3.20 10.67 -21.09 1 9 0 111 420.454 4 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-4-[(2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]-6H-pyrazolo[1,5 2-(2-chlorophenyl)-4-[(2-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) 3.43 10.43 -23.48 1 9 0 111 440.872 4 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-4-[(2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]-6H-pyrazolo[1,5 2-(2-fluorophenyl)-4-[(2-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) 2.92 9.74 -24.91 1 9 0 111 424.417 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methyl (2-methyl-7-oxo-isoxazolo[2,3-a]…

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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) 2.08 8.25 -20.84 1 8 0 103 375.768 6 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-fluorobenzamido)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 1.57 7.81 -22.99 1 8 0 103 359.313 6 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(2-(p-tolyloxy)acetamido)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 1.87 8.99 -23.12 1 9 0 112 385.376 8 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl benzoate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.57 9.21 -16.51 0 6 0 74 284.271 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl thiophene-2-carboxylate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.13 8.27 -16.78 0 6 0 74 290.3 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 4-methylbenzoate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 3.02 9.87 -16.36 0 6 0 74 298.298 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-fluorobenzoate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.34 9.23 -19.27 0 6 0 74 302.261 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(3,4-dimethylphenoxy)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 3.14 10.83 -19.22 0 7 0 83 342.351 6 ↓

Analogs

15734209
15734209

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(4-methoxyphenoxy)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.37 8.78 -20.12 0 8 0 92 344.323 7 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(phenylthio)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.69 10.45 -17.7 0 6 0 74 330.365 6 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-(p-tolylthio)acetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 3.14 11.12 -17.64 0 6 0 74 344.392 6 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2-methoxybenzoate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.66 9.27 -19.52 0 7 0 83 314.297 5 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 3-fluorobenzoate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 2.71 9.27 -16.87 0 6 0 74 302.261 4 ↓

Analogs

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Popular Name: (2-methyl-7-oxo-7H-isoxazolo[2,3-a]pyrimidin-5-yl)methyl 2,2-diphenylacetate (2-methyl-7-oxo-7H-isoxazolo[2,3…

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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) 3.82 13.24 -17.49 0 6 0 74 374.396 6 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-6-hydroxy-2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidine-5-carboxamide N-[(4-fluorophenyl)methyl]-6-hyd…

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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) 1.27 5.12 -15.37 2 7 0 97 317.276 3 ↓
Hi High (pH 8-9.5) 1.27 6.06 -57.9 1 7 -1 100 316.268 3 ↓

Analogs

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Popular Name: (2R)-N-[4-methyl-3-[(2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxy-propana (2R)-N-[4-methyl-3-[(2-methyl-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) 4.05 10.42 -24.78 1 8 0 95 433.464 7 ↓

Analogs

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Popular Name: (2S)-N-[4-methyl-3-[(2-methyl-7-oxo-isoxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-phenoxy-propana (2S)-N-[4-methyl-3-[(2-methyl-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) 4.05 10.43 -24.93 1 8 0 95 433.464 7 ↓

Parameters Provided:

ring.id = 89281
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 = 89281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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