UCSF
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Popular Name: 2-[(5R)-2-[(N'E)-N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]hydrazino]-4-oxo-thiazol 2-[(5R)-2-[(N'E)-N'-[[4-[(2-chlo…

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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) 2.90 11.09 -44.34 1 8 -1 112 460.919 9 ↓
Hi High (pH 8-9.5) 3.44 10.01 -103.17 0 8 -2 114 459.911 10 ↓

Analogs

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Popular Name: 2-[(5S)-2-[(N'E)-N'-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]hydrazino]-4-oxo-thiazol 2-[(5S)-2-[(N'E)-N'-[[4-[(2-chlo…

Find On: PubMed — Wikipedia — Google

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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) 2.90 11.1 -44.31 1 8 -1 112 460.919 9 ↓
Hi High (pH 8-9.5) 3.44 10.01 -103.17 0 8 -2 114 459.911 10 ↓

Parameters Provided:

ring.id = 149335
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 = 149335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149335&filter.purchasability=annotated

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