UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10515572
10515572
39710721
39710721
39710735
39710735
39710740
39710740

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-3-phenylsulfonyl-propanamide N-benzyl-N-(6-chloro-4-methyl-be…

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) 4.44 -2.74 -17.99 0 5 0 67 485.03 7 ↓

Analogs

39710731
39710731

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide N-benzyl-N-(6-chloro-4-methyl-be…

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) 4.61 -2 -17.93 0 5 0 67 503.02 7 ↓

Analogs

39710721
39710721
39710735
39710735
39710740
39710740
10515551
10515551

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonyl-propanamide N-benzyl-N-(6-chloro-4-methyl-be…

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) 5.12 -2.89 -17.6 0 5 0 67 519.475 7 ↓

Analogs

39710769
39710769

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide N-benzyl-N-(6-chloro-4-methyl-be…

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) 4.50 -2.72 -18.8 0 6 0 76 515.056 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide N-benzyl-N-(7-chloro-4-methoxy-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) 4.11 10.33 -23.31 0 7 0 86 531.055 9 ↓

Parameters Provided:

ring.id = 10152
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 = 10152 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=10152&filter.purchasability=annotated

Embed Link to Results