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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-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[[(2R)-4-ethylmorpholin-2-yl]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) 1.99 4.13 -6.69 1 5 0 50 290.289 5 ↓
Mid Mid (pH 6-8) 1.99 6.41 -41.09 2 5 1 51 291.297 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-ethylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine N-[[(2S)-4-ethylmorpholin-2-yl]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) 1.99 4.19 -6.69 1 5 0 50 290.289 5 ↓
Mid Mid (pH 6-8) 1.99 6.48 -41.03 2 5 1 51 291.297 5 ↓

Analogs

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Popular Name: N4,N4,5-trimethyl-N2-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrimidine-2,4-diamine N4,N4,5-trimethyl-N2-[[(2R)-4-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) 0.50 4.08 -41.41 2 8 1 89 330.434 5 ↓
Hi High (pH 8-9.5) 0.50 3.73 -15.34 1 8 0 88 329.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4,N4,5-trimethyl-N2-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]pyrimidine-2,4-diamine N4,N4,5-trimethyl-N2-[[(2S)-4-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) 0.50 4.18 -40.64 2 8 1 89 330.434 5 ↓
Hi High (pH 8-9.5) 0.50 3.82 -15.03 1 8 0 88 329.426 5 ↓

Analogs

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Popular Name: N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-4-methoxy-pyrimidin-2-amine N-[[(2R)-4-ethylmorpholin-2-yl]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) 1.03 1.57 -6.28 1 6 0 60 252.318 5 ↓
Mid Mid (pH 6-8) 1.03 3.84 -40.08 2 6 1 61 253.326 5 ↓
Lo Low (pH 4.5-6) 1.03 4.23 -88.35 3 6 2 62 254.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-ethylmorpholin-2-yl]methyl]-4-methoxy-pyrimidin-2-amine N-[[(2S)-4-ethylmorpholin-2-yl]m…

Find On: PubMed — Wikipedia — Google

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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) 1.03 1.61 -6.33 1 6 0 60 252.318 5 ↓
Mid Mid (pH 6-8) 1.03 3.91 -39.99 2 6 1 61 253.326 5 ↓
Lo Low (pH 4.5-6) 1.03 4.31 -88.29 3 6 2 62 254.334 5 ↓

Parameters Provided:

ring.id = 382557
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 = 382557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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