UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-aminoethyl)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-ethyl-N-[(1-e…

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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) 1.38 7.77 -49.19 3 6 1 74 325.44 7 ↓
Hi High (pH 8-9.5) 1.38 7.39 -10.47 2 6 0 73 324.432 7 ↓
Lo Low (pH 4.5-6) 1.38 8.35 -98.15 4 6 2 76 326.448 7 ↓

Analogs

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Popular Name: 2-(2-aminoethyl)-N-[(3,5-dimethyl-1-propyl-pyrazol-4-yl)methyl]quinazolin-4-amine 2-(2-aminoethyl)-N-[(3,5-dimethy…

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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) 1.70 6.81 -48.36 4 6 1 83 339.467 7 ↓
Hi High (pH 8-9.5) 1.70 6.43 -10.61 3 6 0 82 338.459 7 ↓
Lo Low (pH 4.5-6) 1.70 7.36 -102.54 5 6 2 85 340.475 7 ↓

Analogs

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Popular Name: 8-bromo-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine 8-bromo-N-[(3,5-dimethyl-1H-pyra…

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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) 2.43 6.75 -10.46 2 5 0 66 332.205 3 ↓

Analogs

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Popular Name: N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine N-ethyl-N-[(1-methylpyrazol-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) 1.92 8.96 -10.39 0 5 0 47 267.336 4 ↓
Lo Low (pH 4.5-6) 1.92 9.42 -33.62 1 5 1 48 268.344 4 ↓

Parameters Provided:

ring.id = 86857
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 = 86857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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