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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: (5Z)-5-[[4-(diethylamino)phenyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-[[4-(diethylamino)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) 2.02 6.05 -43.19 0 5 -1 61 316.406 4 ↓
Mid Mid (pH 6-8) 1.56 8.04 -8.01 1 5 0 58 317.414 4 ↓
Mid Mid (pH 6-8) 2.02 6.18 -59.52 1 5 0 62 317.414 4 ↓

Analogs

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Popular Name: (5Z)-5-[[3-methoxy-4-[(1R)-1-methylpropoxy]phenyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4 (5Z)-5-[[3-methoxy-4-[(1R)-1-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) 2.05 5.4 -40.64 0 6 -1 76 347.416 5 ↓
Mid Mid (pH 6-8) 1.59 7.37 -10.49 1 6 0 73 348.424 5 ↓

Analogs

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Popular Name: (5Z)-5-[[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4 (5Z)-5-[[3-methoxy-4-[(1S)-1-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) 2.05 5.34 -40.64 0 6 -1 76 347.416 5 ↓
Mid Mid (pH 6-8) 1.59 7.31 -10.5 1 6 0 73 348.424 5 ↓

Analogs

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Popular Name: (5Z)-5-[(3,4-dimethoxyphenyl)methylene]-1-[(1R)-1-methylpropyl]-2-thioxo-hexahydropyrimidine-4,6-dio (5Z)-5-[(3,4-dimethoxyphenyl)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) 2.05 5.55 -42.23 0 6 -1 76 347.416 5 ↓
Mid Mid (pH 6-8) 1.59 7.51 -9.98 1 6 0 73 348.424 5 ↓

Analogs

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Popular Name: (5Z)-5-[(3,4-dimethoxyphenyl)methylene]-1-[(1S)-1-methylpropyl]-2-thioxo-hexahydropyrimidine-4,6-dio (5Z)-5-[(3,4-dimethoxyphenyl)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) 2.05 5.53 -42.13 0 6 -1 76 347.416 5 ↓
Mid Mid (pH 6-8) 1.59 7.5 -9.98 1 6 0 73 348.424 5 ↓

Analogs

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Popular Name: (5Z)-5-[(4-ethylphenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-5-[(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) 2.08 5.19 -39.79 0 4 -1 58 273.337 2 ↓
Mid Mid (pH 6-8) 1.62 7.15 -7.38 1 4 0 55 274.345 2 ↓

Analogs

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Popular Name: (5Z)-1-ethyl-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5Z)-1-ethyl-5-[(3-hydroxy-4-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) 0.88 1.96 -41.6 1 6 -1 87 305.335 3 ↓
Mid Mid (pH 6-8) 0.42 3.92 -10.42 2 6 0 84 306.343 3 ↓

Analogs

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Popular Name: (5Z)-1-methyl-2-thioxo-5-[(2,3,4-trimethoxyphenyl)methylene]hexahydropyrimidine-4,6-dione (5Z)-1-methyl-2-thioxo-5-[(2,3,4…

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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) 0.99 3.09 -41.06 0 7 -1 86 335.361 4 ↓
Mid Mid (pH 6-8) 0.53 5.05 -10.02 1 7 0 83 336.369 4 ↓

Analogs

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Popular Name: 2-[4-[(Z)-(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]acetonitrile 2-[4-[(Z)-(1-methyl-4,6-dioxo-2-…

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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) 1.00 3.8 -46.57 0 6 -1 91 300.319 3 ↓
Mid Mid (pH 6-8) 0.55 5.76 -15.49 1 6 0 88 301.327 3 ↓

Analogs

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Popular Name: 5-(4-hydroxybenzylidene)-2-thioxohexahydropyrimidine-4,6-dione 5-(4-hydroxybenzylidene)-2-thiox…

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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) 0.61 -0.49 -44.1 2 5 -1 89 247.255 1 ↓
Hi High (pH 8-9.5) 0.61 0.36 -92.86 1 5 -2 92 246.247 1 ↓
Lo Low (pH 4.5-6) 0.61 -0.44 -46.11 2 5 -1 89 247.255 1 ↓

Parameters Provided:

ring.id = 158915
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 = 158915 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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