UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzyl-[2-(4-nitrophenyl)quinazolin-4-yl]amine benzyl-[2-(4-nitrophenyl)quinazo…

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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) 4.99 12.53 -9.33 1 6 0 84 356.385 5 ↓

Analogs

25151836
25151836

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Popular Name: benzyl-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-methyl-amine benzyl-[2-(2,4-dichlorophenyl)qu…

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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) 6.56 -0.2 -6.36 0 3 0 29 394.305 4 ↓

Analogs

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Popular Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-isopropyl-propanamide 3-[benzyl-[2-(4-methoxyphenyl)qu…

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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) 5.38 13.58 -17.37 1 6 0 67 454.574 9 ↓
Mid Mid (pH 6-8) 5.38 13.92 -35.09 2 6 1 69 455.582 9 ↓

Analogs

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Popular Name: 3-[benzyl-(2-phenylquinazolin-4-yl)amino]-N-isobutyl-propanamide 3-[benzyl-(2-phenylquinazolin-4-…

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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) 5.78 14.97 -16.97 1 5 0 58 438.575 9 ↓
Lo Low (pH 4.5-6) 5.78 15.31 -34.27 2 5 1 59 439.583 9 ↓

Analogs

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Popular Name: 3-[benzyl-[2-(3-bromophenyl)quinazolin-4-yl]amino]propanoic 3-[benzyl-[2-(3-bromophenyl)quin…

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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) 5.58 15.72 -48.58 0 5 -1 69 461.339 7 ↓
Lo Low (pH 4.5-6) 5.58 16.06 -53.29 1 5 0 70 462.347 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-N-isobutyl-propanamide 3-[benzyl-[2-(4-methoxyphenyl)qu…

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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) 5.83 14.28 -17.14 1 6 0 67 468.601 10 ↓
Mid Mid (pH 6-8) 5.83 14.63 -35.26 2 6 1 69 469.609 10 ↓

Parameters Provided:

ring.id = 222593
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 = 222593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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