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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: N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]acetamide N-[4-imino-8-(4-methoxyanilino)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) -2.64 5.68 -34.34 4 9 1 119 326.34 4 ↓
Mid Mid (pH 6-8) -0.36 5.89 -15.9 3 9 0 118 325.332 4 ↓

Analogs

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Popular Name: 4-imino-N8-phenyl-pyrimido[5,4-d]pyrimidine-3,8-diamine 4-imino-N8-phenyl-pyrimido[5,4-d…

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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) -2.44 5.93 -32.15 5 7 1 107 254.277 2 ↓
Hi High (pH 8-9.5) -0.15 5.71 -12.35 4 7 0 106 253.269 2 ↓

Analogs

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Popular Name: 3-ethyl-4-imino-N-phenyl-pyrimido[5,4-d]pyrimidin-8-amine 3-ethyl-4-imino-N-phenyl-pyrimid…

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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) -1.45 8.5 -32.29 3 6 1 81 267.316 3 ↓
Mid Mid (pH 6-8) 0.84 8.49 -10.6 2 6 0 79 266.308 3 ↓

Analogs

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Popular Name: 4-imino-N8-(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-3,8-diamine 4-imino-N8-(4-methoxyphenyl)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) -2.38 5.22 -33.84 5 8 1 116 284.303 3 ↓
Hi High (pH 8-9.5) -0.10 5 -13.17 4 8 0 115 283.295 3 ↓

Analogs

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Popular Name: 4-[(3-amino-4-imino-pyrimido[5,4-d]pyrimidin-8-yl)amino]benzonitrile 4-[(3-amino-4-imino-pyrimido[5,4…

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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) -2.68 6.33 -37.75 5 8 1 130 279.287 2 ↓
Hi High (pH 8-9.5) -0.40 6.15 -14.67 4 8 0 129 278.279 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-(2-hydroxyethyl)-4-imino-pyrimido[5,4-d]pyrimidin-8-yl]amino]benzonitrile 4-[[3-(2-hydroxyethyl)-4-imino-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) -2.70 5.56 -38.39 4 8 1 125 308.325 4 ↓
Hi High (pH 8-9.5) -0.42 5.47 -14.2 3 8 0 124 307.317 4 ↓

Parameters Provided:

ring.id = 38924
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 = 38924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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