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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-[8-(4-fluoroanilino)-4-imino-pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide N-[8-(4-fluoroanilino)-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) -2.15 7.78 -37.93 4 9 1 123 377.363 4 ↓
Mid Mid (pH 6-8) 0.13 7.97 -17.05 3 9 0 121 376.355 4 ↓

Analogs

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Popular Name: N-[4-imino-8-(4-methoxyanilino)pyrimido[5,4-d]pyrimidin-3-yl]pyridine-4-carboxamide 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) -2.26 7.01 -37.55 4 10 1 132 389.399 5 ↓
Mid Mid (pH 6-8) 0.02 7.19 -17.92 3 10 0 131 388.391 5 ↓

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: N-[8-(4-cyanoanilino)-4-imino-pyrimido[5,4-d]pyrimidin-3-yl]benzamide N-[8-(4-cyanoanilino)-4-imino-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) -1.27 9.85 -37.65 4 9 1 134 383.395 4 ↓
Mid Mid (pH 6-8) 1.01 10.05 -15.92 3 9 0 132 382.387 4 ↓

Analogs

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Popular Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hy 2-[[2-[bis(2-hydroxyethyl)amino]…

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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) -0.44 5.16 -86.55 6 14 2 154 536.682 12 ↓
Hi High (pH 8-9.5) -0.44 0.45 -10.81 4 14 0 152 534.666 12 ↓
Mid Mid (pH 6-8) -0.44 2.82 -45.93 5 14 1 153 535.674 12 ↓

Analogs

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Popular Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(2,2-dimethylpropylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-h 2-[[2-[bis(2-hydroxyethyl)amino]…

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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) 2.69 4.78 -10.71 6 12 0 163 508.668 16 ↓

Analogs

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Popular Name: 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]etha 2-[[4,8-bis(2,2-dimethylpropylam…

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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) 3.23 4.79 -10.56 6 10 0 140 420.562 12 ↓

Analogs

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Popular Name: 2-[[4,8-bis[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimi 2-[[4,8-bis[(1R,5S)-8-azabicyclo…

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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) 2.34 8.69 -14.87 4 12 0 145 556.712 12 ↓
Lo Low (pH 4.5-6) 2.34 8.87 -28.15 5 12 1 147 557.72 12 ↓

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 = 38789
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 = 38789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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