UCSF
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Analogs

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Popular Name: (4-bromophenyl)-(3-methoxyphenyl)-[(3-methoxyphenyl)methylene]BLAH (4-bromophenyl)-(3-methoxyphenyl…

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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) 9.60 1 -10.4 0 4 0 35 571.54 5 ↓

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Popular Name: ethyl (9Z)-9-benzylidene-3-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate ethyl (9Z)-9-benzylidene-3-methy…

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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) 7.72 17.5 -8.34 0 4 0 44 442.584 5 ↓
Mid Mid (pH 6-8) 7.72 17.47 -21.7 1 4 1 45 443.592 5 ↓

Analogs

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Popular Name: ethyl (9Z)-9-benzylidene-3-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate ethyl (9Z)-9-benzylidene-3-methy…

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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) 7.72 17.39 -8.38 0 4 0 44 442.584 5 ↓
Mid Mid (pH 6-8) 7.72 17.37 -21.64 1 4 1 45 443.592 5 ↓

Parameters Provided:

ring.id = 230224
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 = 230224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=230224&filter.purchasability=annotated

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