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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (2S)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2S)-1-[2-(4-phenylpiperazin-1-y…

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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) 3.27 10.04 -15.26 1 6 0 52 427.552 6 ↓
Mid Mid (pH 6-8) 3.27 12.25 -61.39 2 6 1 53 428.56 6 ↓
Lo Low (pH 4.5-6) 3.27 12.13 -117.16 3 6 2 54 429.568 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-phenylpiperazin-1-y…

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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) 3.27 9.16 -10.98 1 6 0 52 427.552 6 ↓
Mid Mid (pH 6-8) 3.27 11.39 -60.18 2 6 1 53 428.56 6 ↓
Lo Low (pH 4.5-6) 3.27 11.76 -117.38 3 6 2 54 429.568 6 ↓

Analogs

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Popular Name: (2S)-6-amino-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2S)-6-amino-1-[2-(4-phenylpiper…

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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) 2.33 7.9 -15.74 3 7 0 78 442.567 6 ↓
Mid Mid (pH 6-8) 2.33 10.11 -61.15 4 7 1 79 443.575 6 ↓
Lo Low (pH 4.5-6) 2.33 9.98 -116.12 5 7 2 80 444.583 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-amino-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2R)-6-amino-1-[2-(4-phenylpiper…

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) 2.33 7.03 -11.87 3 7 0 78 442.567 6 ↓
Mid Mid (pH 6-8) 2.33 9.25 -60.43 4 7 1 79 443.575 6 ↓
Lo Low (pH 4.5-6) 2.33 9.62 -115.28 5 7 2 80 444.583 6 ↓

Parameters Provided:

ring.id = 197470
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 = 197470 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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