UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16911800
16911800
39863718
39863718
39863719
39863719
39863720
39863720
39863822
39863822

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Popular Name: (2E,5Z)-2-(2-chlorophenyl)imino-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylene]thiazolidin-4-one (2E,5Z)-2-(2-chlorophenyl)imino-…

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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) 7.50 12.63 -9.17 1 4 0 54 455.366 5 ↓
Hi High (pH 8-9.5) 7.96 10.62 -49.41 0 4 -1 58 454.358 5 ↓

Analogs

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Popular Name: (2E,5E)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylene]-2-(4-methoxyphenyl)imino-thiazolidi (2E,5E)-5-[[5-bromo-2-[(3-fluoro…

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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) 7.23 11.38 -10.09 1 5 0 64 513.388 6 ↓
Ref Reference (pH 7) 7.23 11.8 -10.35 1 5 0 64 513.388 6 ↓
Hi High (pH 8-9.5) 7.68 9.6 -46.7 0 5 -1 67 512.38 6 ↓

Analogs

39863718
39863718
39863719
39863719
39863720
39863720
39864196
39864196
39864197
39864197

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Popular Name: (2E,5Z)-2-(2-chlorophenyl)imino-5-[[2-(m-tolylmethoxy)phenyl]methylene]thiazolidin-4-one (2E,5Z)-2-(2-chlorophenyl)imino-…

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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) 7.30 12.72 -10.32 1 4 0 54 434.948 5 ↓

Analogs

39863718
39863718
39863719
39863719
39863720
39863720
39863822
39863822
39863823
39863823

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Popular Name: (2E,5Z)-2-(2-chlorophenyl)imino-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]thiazolidin-4-one (2E,5Z)-2-(2-chlorophenyl)imino-…

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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) 7.55 12.55 -11 1 4 0 54 455.366 5 ↓

Analogs

5376514
5376514
5376522
5376522
16451061
16451061
33713571
33713571
39862310
39862310

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Popular Name: 5-{2-[(2-chlorobenzyl)oxy]benzylidene}-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one 5-{2-[(2-chlorobenzyl)oxy]benzyl…

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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) 7.55 12.19 -7.43 1 4 0 54 455.366 5 ↓
Ref Reference (pH 7) 7.55 12.61 -7.62 1 4 0 54 455.366 5 ↓

Parameters Provided:

ring.id = 81287
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 = 81287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=81287&filter.purchasability=annotated

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