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

Analogs

12402042
12402042
33246567
33246567

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclohexyl-1-[(4S)-5,5-dimethyl-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]amino]-2-thioxo-thiazo 3-cyclohexyl-1-[(4S)-5,5-dimethy…

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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) 4.54 -3.17 -29.3 2 10 0 127 467.573 6 ↓
Hi High (pH 8-9.5) 4.54 -2.97 -50.82 1 10 -1 130 466.565 6 ↓

Analogs

33246567
33246567
12402041
12402041

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclohexyl-1-[(4R)-5,5-dimethyl-3-[[(E)-3-(5-nitro-2-furyl)prop-2-enylidene]amino]-2-thioxo-thiazo 3-cyclohexyl-1-[(4R)-5,5-dimethy…

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) 4.54 -3.12 -21.99 2 10 0 127 467.573 6 ↓
Hi High (pH 8-9.5) 4.54 -3.02 -49.52 1 10 -1 130 466.565 6 ↓

Parameters Provided:

ring.id = 100662
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 = 100662 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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