UCSF
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Analogs

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Popular Name: N-[[(2R)-4-ethylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-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) 1.52 3.7 -7.8 1 5 0 50 278.381 4 ↓
Mid Mid (pH 6-8) 1.52 5.98 -42.24 2 5 1 51 279.389 4 ↓
Lo Low (pH 4.5-6) 1.52 6.44 -78.4 3 5 2 53 280.397 4 ↓

Analogs

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Popular Name: N-[[(2S)-4-ethylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-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) 1.52 3.76 -7.8 1 5 0 50 278.381 4 ↓
Mid Mid (pH 6-8) 1.52 6.05 -42.17 2 5 1 51 279.389 4 ↓
Lo Low (pH 4.5-6) 1.52 6.51 -78.34 3 5 2 53 280.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-4-methylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine N-[[(2R)-4-methylmorpholin-2-yl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.14 2.91 -8.02 1 5 0 50 264.354 3 ↓
Mid Mid (pH 6-8) 1.14 5.34 -43.54 2 5 1 51 265.362 3 ↓
Lo Low (pH 4.5-6) 1.14 5.79 -78.96 3 5 2 53 266.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-4-methylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine N-[[(2S)-4-methylmorpholin-2-yl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.14 2.97 -7.95 1 5 0 50 264.354 3 ↓
Mid Mid (pH 6-8) 1.14 5.4 -43.48 2 5 1 51 265.362 3 ↓
Lo Low (pH 4.5-6) 1.14 5.85 -78.88 3 5 2 53 266.37 3 ↓

Parameters Provided:

ring.id = 382626
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 = 382626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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