UCSF
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Analogs

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Popular Name: N-[2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethyl]acetamide N-[2-[(5-phenyl-6,7-dihydropyrro…

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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) 1.98 6.81 -12.14 2 6 0 70 297.362 5 ↓
Mid Mid (pH 6-8) 1.98 7.21 -36.23 3 6 1 71 298.37 5 ↓

Analogs

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Popular Name: N-methyl-N-[2-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]ethyl]methanesulfonamide N-methyl-N-[2-[(5-phenyl-6,7-dih…

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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) 2.24 6.52 -16.8 1 7 0 78 347.444 6 ↓
Mid Mid (pH 6-8) 2.24 6.92 -32.71 2 7 1 80 348.452 6 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[(5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)amino]butanamide N,N-dimethyl-4-[(5-phenyl-6,7-di…

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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) 2.29 9.52 -12.76 1 6 0 61 325.416 6 ↓
Mid Mid (pH 6-8) 2.29 9.91 -35.59 2 6 1 63 326.424 6 ↓

Parameters Provided:

ring.id = 397408
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 = 397408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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