UCSF
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Analogs

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Popular Name: [1-[[2-(2-aminoethyl)quinazolin-4-yl]amino]cyclopentyl]methanol [1-[[2-(2-aminoethyl)quinazolin-…

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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 3.06 -46.68 5 5 1 86 287.387 5 ↓
Hi High (pH 8-9.5) 1.45 2.68 -8.57 4 5 0 84 286.379 5 ↓
Lo Low (pH 4.5-6) 1.45 4.66 -95.48 6 5 2 87 288.395 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(quinazolin-4-yl)amino]acetic 2-[cyclopentyl(quinazolin-4-yl)a…

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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) 1.50 10.06 -54.2 0 5 -1 69 270.312 4 ↓
Lo Low (pH 4.5-6) 1.50 10.53 -51.15 1 5 0 70 271.32 4 ↓

Analogs

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Popular Name: N-cyclopentyl-N-quinazolin-4-yl-propane-1,3-diamine N-cyclopentyl-N-quinazolin-4-yl-…

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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 8.02 -48.31 3 4 1 57 271.388 5 ↓
Lo Low (pH 4.5-6) 2.24 8.48 -86.7 4 4 2 58 272.396 5 ↓

Parameters Provided:

ring.id = 416278
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 = 416278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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