UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6Z)-6-[(4-diethylaminophenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(4-diethylaminophenyl)me…

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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 8.01 -16.98 1 6 0 75 324.384 4 ↓
Mid Mid (pH 6-8) 1.29 8.14 -50.4 2 6 0 76 325.392 4 ↓

Analogs

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Popular Name: (6Z)-6-[(3-bromo-4-hydroxy-phenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(3-bromo-4-hydroxy-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) 0.95 3.55 -19.45 2 6 0 92 348.156 1 ↓
Hi High (pH 8-9.5) 0.95 5.48 -48 2 6 0 96 348.156 1 ↓
Mid Mid (pH 6-8) 0.95 4.71 -58.23 1 6 -1 94 347.148 1 ↓

Analogs

16698657
16698657
4481333
4481333

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Popular Name: (6Z)-6-[(4-ethylphenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(4-ethylphenyl)methylene…

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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) 1.35 7.17 -15.98 1 5 0 71 281.315 2 ↓

Analogs

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Popular Name: (6Z)-6-[(4-ethoxyphenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(4-ethoxyphenyl)methylen…

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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) 0.87 5.96 -17.7 1 6 0 81 297.314 3 ↓

Analogs

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Popular Name: (6Z)-6-[(3,4-diethoxyphenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(3,4-diethoxyphenyl)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) 0.83 6.78 -18.37 1 7 0 90 341.367 5 ↓

Analogs

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Popular Name: (6Z)-6-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(3-ethoxy-4-isobutoxy-ph…

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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) 1.58 8.25 -18.06 1 7 0 90 369.421 6 ↓

Analogs

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Popular Name: (6Z)-6-[(3-ethoxyphenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(3-ethoxyphenyl)methylen…

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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) 0.84 5.97 -15.98 1 6 0 81 297.314 3 ↓

Analogs

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Popular Name: (6Z)-6-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5- (6Z)-6-[(3-chloro-4-ethoxy-5-met…

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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) 1.26 6.54 -18.95 1 7 0 90 361.785 4 ↓

Analogs

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Popular Name: (6Z)-6-[(3-chloro-4,5-diethoxy-phenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin-5-one (6Z)-6-[(3-chloro-4,5-diethoxy-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) 1.64 7.45 -19.44 1 7 0 90 375.812 5 ↓

Analogs

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Popular Name: (6Z)-6-[(3-bromo-4-isobutoxy-5-methoxy-phenyl)methylene]-7-imino-2-methyl-isoxazolo[2,3-a]pyrimidin- (6Z)-6-[(3-bromo-4-isobutoxy-5-m…

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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) 2.14 8.12 -19.29 1 7 0 90 434.29 5 ↓

Parameters Provided:

ring.id = 67760
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 = 67760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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