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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-amino-1-piperidyl)-6-nitro-3H-quinazolin-4-one 7-(4-amino-1-piperidyl)-6-nitro-…

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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) 0.22 4.72 -59.86 4 8 1 122 290.303 2 ↓
Mid Mid (pH 6-8) 0.67 2.68 -77.11 3 8 0 126 289.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-7-(4-ethyl-4-methyl-1-piperidyl)-3H-quinazolin-4-one 6-amino-7-(4-ethyl-4-methyl-1-pi…

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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) 2.37 6.05 -9.25 3 5 0 75 286.379 2 ↓

Analogs

43424579
43424579
43424580
43424580

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3S)-3-(2-hydroxyethoxy)-1-piperidyl]-6-nitro-3H-quinazolin-4-one 7-[(3S)-3-(2-hydroxyethoxy)-1-pi…

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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) 0.60 4.34 -17.66 2 9 0 124 334.332 5 ↓
Mid Mid (pH 6-8) 1.05 2.29 -41.58 1 9 -1 127 333.324 5 ↓

Analogs

43424579
43424579
43424580
43424580

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(3R)-3-(2-hydroxyethoxy)-1-piperidyl]-6-nitro-3H-quinazolin-4-one 7-[(3R)-3-(2-hydroxyethoxy)-1-pi…

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) 0.60 4.34 -17.72 2 9 0 124 334.332 5 ↓
Mid Mid (pH 6-8) 1.05 2.3 -42.9 1 9 -1 127 333.324 5 ↓

Parameters Provided:

ring.id = 110693
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 = 110693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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