UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9346238
9346238
9346381
9346381

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Popular Name: N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(2-methylsulfanylphenyl)-1,…

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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) 2.92 -7 -21.8 1 8 0 105 444.538 6 ↓

Analogs

9707582
9707582
9346553
9346553

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Popular Name: N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(3-methylsulfanylphenyl)-1,…

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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) 2.95 3.65 -21.28 1 8 0 105 444.538 6 ↓
Hi High (pH 8-9.5) 3.02 1.54 -55.65 0 8 -1 112 443.53 6 ↓

Analogs

36693473
36693473
9346603
9346603
9346637
9346637

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Popular Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(4-methylsulfanylphenyl)-1,…

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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) 2.97 3.65 -18.98 1 8 0 105 444.538 6 ↓
Hi High (pH 8-9.5) 3.04 1.54 -52.39 0 8 -1 112 443.53 6 ↓

Analogs

9707616
9707616
9707600
9707600
9346684
9346684

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Popular Name: N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(2-methylsulfonylphenyl)-1,…

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) 1.80 1.81 -26.73 1 10 0 140 476.536 6 ↓

Analogs

60263580
60263580
9707628
9707628
9346730
9346730

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Popular Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(3-methylsulfonylphenyl)-1,…

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) 1.38 0.18 -28.7 1 10 0 140 476.536 6 ↓

Analogs

36693171
36693171
60263642
60263642
9346774
9346774
9346773
9346773

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide N-[5-(4-methylsulfonylphenyl)-1,…

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) 1.41 0.18 -26.41 1 10 0 140 476.536 6 ↓

Parameters Provided:

ring.id = 7922
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 = 7922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7922&filter.purchasability=annotated

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