UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12539441
12539441
12539444
12539444
12539447
12539447
31694022
31694022
31694027
31694027

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Popular Name: (7R)-7-methyl-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiophe (7R)-7-methyl-2-[(1S)-1-(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) 4.07 7 -10.1 2 6 0 91 361.496 3 ↓
Lo Low (pH 4.5-6) 4.07 7.31 -27.08 3 6 1 92 362.504 3 ↓
Lo Low (pH 4.5-6) 4.07 3.72 -27.59 3 6 1 92 362.504 3 ↓

Analogs

12539444
12539444
12539447
12539447
31694022
31694022
31694027
31694027
31694036
31694036

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-methyl-2-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiophe (7S)-7-methyl-2-[(1S)-1-(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) 4.07 7.01 -10.13 2 6 0 91 361.496 3 ↓
Lo Low (pH 4.5-6) 4.07 7.32 -27.08 3 6 1 92 362.504 3 ↓
Lo Low (pH 4.5-6) 4.07 3.74 -27.6 3 6 1 92 362.504 3 ↓

Analogs

12539447
12539447
31694022
31694022
31694027
31694027
31694036
31694036
31694040
31694040

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-methyl-2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiophe (7R)-7-methyl-2-[(1R)-1-(3-methy…

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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) 4.07 7.04 -10.45 2 6 0 91 361.496 3 ↓
Lo Low (pH 4.5-6) 4.07 7.39 -27.26 3 6 1 92 362.504 3 ↓
Lo Low (pH 4.5-6) 4.07 3.82 -27.96 3 6 1 92 362.504 3 ↓

Analogs

31694022
31694022
31694027
31694027
31694036
31694036
31694040
31694040
31694045
31694045

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-methyl-2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiophe (7S)-7-methyl-2-[(1R)-1-(3-methy…

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) 4.07 7.01 -10.05 2 6 0 91 361.496 3 ↓
Lo Low (pH 4.5-6) 4.07 7.32 -27.03 3 6 1 92 362.504 3 ↓
Lo Low (pH 4.5-6) 4.07 3.74 -27.55 3 6 1 92 362.504 3 ↓

Parameters Provided:

ring.id = 106482
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 = 106482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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