UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12401664
12401664

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Popular Name: (4R)-4-(4-chlorophenyl)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydr (4R)-4-(4-chlorophenyl)-1-(5-iso…

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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) 5.04 1.61 -12.28 0 5 0 63 462.04 4 ↓

Analogs

12401663
12401663

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Popular Name: (4S)-4-(4-chlorophenyl)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydr (4S)-4-(4-chlorophenyl)-1-(5-iso…

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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) 5.04 2.27 -8.36 0 5 0 63 462.04 4 ↓

Analogs

12401666
12401666
12412588
12412588
12412589
12412589
3629304
3629304
3629306
3629306

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Popular Name: (4R)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydro (4R)-1-(5-isopropylsulfanyl-1,3,…

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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) 4.30 2.25 -13.44 0 8 0 109 472.592 5 ↓

Analogs

12412588
12412588
12412589
12412589
3629304
3629304
3629306
3629306

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(3-nitrophenyl)-3,4,6,8-tetrahydro (4S)-1-(5-isopropylsulfanyl-1,3,…

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) 4.30 2.28 -13.08 0 8 0 109 472.592 5 ↓

Parameters Provided:

ring.id = 100274
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 = 100274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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