UCSF
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Popular Name: MFCD17779304 MFCD17779304

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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) 0.60 2.38 -6.74 1 6 0 89 211.202 1 ↓
Hi High (pH 8-9.5) 1.06 -0.21 -37.94 0 6 -1 92 210.194 1 ↓

Analogs

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Popular Name: 1-Isopropyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-Isopropyl-7-(methylthio)-1H-py…

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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 6.03 -6.41 0 6 0 78 253.283 2 ↓

Analogs

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Popular Name: 7-(methylthio)-1-phenyl-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 7-(methylthio)-1-phenyl-1h-pyrim…

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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) 1.94 7.94 -8.6 0 6 0 78 287.3 2 ↓

Analogs

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Popular Name: 1-Benzyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-Benzyl-7-(methylthio)-1H-pyrim…

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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) 2.26 8.53 -6.96 0 6 0 78 301.327 3 ↓

Analogs

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Popular Name: 7-(methylthio)-1-propyl-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 7-(methylthio)-1-propyl-1h-pyrim…

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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) 1.54 6.27 -6.38 0 6 0 78 253.283 3 ↓

Analogs

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Popular Name: 1-allyl-7-(methylthio)-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-allyl-7-(methylthio)-1h-pyrimi…

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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) 1.31 6.12 -6.41 0 6 0 78 251.267 3 ↓

Analogs

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Popular Name: 1-Isopentyl-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-Isopentyl-7-(methylthio)-1H-py…

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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) 2.32 7.56 -6.14 0 6 0 78 281.337 4 ↓

Analogs

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Popular Name: 7-(methylthio)-1-(prop-2-ynyl)-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 7-(methylthio)-1-(prop-2-ynyl)-1…

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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 6.09 -7.84 0 6 0 78 249.251 2 ↓

Analogs

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Popular Name: 1-(2-Methoxyethyl)-7-(methylthio)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-(2-Methoxyethyl)-7-(methylthio…

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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) 0.65 4.97 -7.44 0 7 0 87 269.282 4 ↓

Analogs

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Popular Name: 7-phenyl-1h-pyrimido[4,5-d][1,3]oxazine-2,4-dione 7-phenyl-1h-pyrimido[4,5-d][1,3]…

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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) 1.24 5.21 -6.98 1 6 0 89 241.206 1 ↓
Ref Reference (pH 7) 1.70 2.63 -39.31 0 6 -1 92 240.198 1 ↓

Analogs

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Popular Name: 1-methyl-7-phenyl-1h-pyrimido[4,5-d][1,3]oxazine-2,4-dione 1-methyl-7-phenyl-1h-pyrimido[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) 1.31 7.33 -7.15 0 6 0 78 255.233 1 ↓

Analogs

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Popular Name: 1-isopropyl-7-phenyl-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-isopropyl-7-phenyl-1h-pyrimido…

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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 8.88 -6.77 0 6 0 78 283.287 2 ↓

Analogs

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Popular Name: 1-benzyl-7-phenyl-1h-pyrimido[4,5-d][1,3]oxazine-2,4-dione 1-benzyl-7-phenyl-1h-pyrimido[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) 2.90 11.4 -7.3 0 6 0 78 331.331 3 ↓

Analogs

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Popular Name: 7-Phenyl-1-propyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione 7-Phenyl-1-propyl-1H-pyrimido[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) 2.19 9.12 -6.68 0 6 0 78 283.287 3 ↓

Analogs

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Popular Name: 1-Allyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione 1-Allyl-7-phenyl-1H-pyrimido[4,5…

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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) 1.95 8.94 -7.05 0 6 0 78 281.271 3 ↓

Analogs

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Popular Name: 1-isopentyl-7-phenyl-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-isopentyl-7-phenyl-1h-pyrimido…

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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) 2.96 10.41 -6.44 0 6 0 78 311.341 4 ↓

Analogs

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Popular Name: 7-phenyl-1-(prop-2-ynyl)-1h-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 7-phenyl-1-(prop-2-ynyl)-1h-pyri…

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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) 1.47 8.89 -7.94 0 6 0 78 279.255 2 ↓

Analogs

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Popular Name: 1-(2-Methoxyethyl)-7-phenyl-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione 1-(2-Methoxyethyl)-7-phenyl-1H-p…

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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) 1.29 7.79 -7.53 0 7 0 87 299.286 4 ↓

Parameters Provided:

ring.id = 286820
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 = 286820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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