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

Analogs

14230005
14230005
16709630
16709630
16709633
16709633
16709634
16709634
16709635
16709635

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-6-chlorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4R)-6-chlorothiochroman-4-yl…

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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) 2.67 7.66 -17.43 1 5 0 66 436.986 4 ↓

Analogs

16709630
16709630
16709633
16709633
16709634
16709634
16709635
16709635
14230002
14230002

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Popular Name: N-[(4S)-6-chlorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4S)-6-chlorothiochroman-4-yl…

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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) 2.67 7.71 -17.37 1 5 0 66 436.986 4 ↓

Analogs

14237300
14237300

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-8-fluorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4S)-8-fluorothiochroman-4-yl…

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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) 2.14 7.24 -18.08 1 5 0 66 420.531 4 ↓

Analogs

14237297
14237297

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-8-fluorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4R)-8-fluorothiochroman-4-yl…

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) 2.14 7.19 -18.26 1 5 0 66 420.531 4 ↓

Analogs

14244503
14244503

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-6-fluorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4R)-6-fluorothiochroman-4-yl…

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) 2.16 7.21 -18.38 1 5 0 66 420.531 4 ↓

Analogs

14244502
14244502

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-6-fluorothiochroman-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide N-[(4S)-6-fluorothiochroman-4-yl…

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) 2.16 7.26 -18.32 1 5 0 66 420.531 4 ↓

Parameters Provided:

ring.id = 233682
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 = 233682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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