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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[[7-methyl-2-oxo-4-(4-tert-butylphenoxy)-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylen 2-[[7-methyl-2-oxo-4-(4-tert-but…

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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) 5.02 5.07 -15.27 0 6 0 91 384.439 4 ↓

Analogs

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Popular Name: 2-[[8-(2-isopropyl-5-methyl-phenoxy)-10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-9-yl]methyle 2-[[8-(2-isopropyl-5-methyl-phen…

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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) 4.33 4.49 -16.58 0 6 0 91 370.412 4 ↓

Analogs

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Popular Name: 2-[[8-(2-fluorophenoxy)-10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-9-yl]methylene]propanedin 2-[[8-(2-fluorophenoxy)-10-oxo-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) 3.03 4.13 -17.98 0 6 0 91 332.294 3 ↓

Analogs

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Popular Name: 2-[[4-(2-fluorophenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylene]pr 2-[[4-(2-fluorophenoxy)-7-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 4.61 -17.27 0 6 0 91 346.321 3 ↓

Analogs

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Popular Name: 2-[[4-(4-methoxyphenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylene]p 2-[[4-(4-methoxyphenoxy)-7-methy…

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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) 3.37 3.93 -16.33 0 7 0 100 358.357 4 ↓

Analogs

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Popular Name: 2-[[4-(4-chloro-3-methyl-phenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]me 2-[[4-(4-chloro-3-methyl-phenoxy…

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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) 4.37 4.21 -14.61 0 6 0 91 376.803 3 ↓

Analogs

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Popular Name: 2-[[4-(3,5-dimethylphenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylen 2-[[4-(3,5-dimethylphenoxy)-7-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) 4.14 4.72 -16.22 0 6 0 91 356.385 3 ↓

Analogs

26030776
26030776

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Popular Name: 2-(4-ethylphenoxy)-3-nitro-pyrido[2,1-b]pyrimidin-4-one 2-(4-ethylphenoxy)-3-nitro-pyrid…

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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) 3.73 10.21 -23.81 0 7 0 89 311.297 4 ↓

Analogs

3957957
3957957

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Popular Name: 2-(4-bromophenoxy)-7-methyl-pyrido[2,1-b]pyrimidin-4-one 2-(4-bromophenoxy)-7-methyl-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) 4.14 7.75 -11.93 0 4 0 44 331.169 2 ↓

Analogs

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Popular Name: 2-(3,4-dichlorophenoxy)-7-methyl-pyrido[2,1-b]pyrimidin-4-one 2-(3,4-dichlorophenoxy)-7-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) 4.61 8.12 -11.75 0 4 0 44 321.163 2 ↓

Analogs

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Popular Name: 4-methyl-3-(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)oxy-benzamide 4-methyl-3-(3-nitro-4-oxo-pyrido…

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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) 2.01 6.15 -33.12 2 9 0 133 340.295 4 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenoxy)-3-nitro-pyrido[1,2-a]pyrimidin-4-one 2-(4-ethoxyphenoxy)-3-nitro-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) 3.25 8.96 -23.51 0 8 0 99 327.296 5 ↓

Parameters Provided:

ring.id = 1378
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 1378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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