UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38574070
38574070
38574071
38574071
38574072
38574072

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Popular Name: p-tolylcarbamoylBLAHcarboxylic p-tolylcarbamoylBLAHcarboxylic

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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) 4.31 13.16 -52.46 1 4 -1 69 382.439 3 ↓
Lo Low (pH 4.5-6) 4.31 11.26 -13.45 2 4 0 66 383.447 3 ↓

Analogs

38574071
38574071
38574072
38574072
38574069
38574069

Draw Identity 99% 90% 80% 70%

Popular Name: p-tolylcarbamoylBLAHcarboxylic p-tolylcarbamoylBLAHcarboxylic

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) 4.31 12.87 -46.21 1 4 -1 69 382.439 3 ↓
Lo Low (pH 4.5-6) 4.31 10.94 -10.82 2 4 0 66 383.447 3 ↓

Analogs

38574072
38574072
38574069
38574069

Draw Identity 99% 90% 80% 70%

Popular Name: p-tolylcarbamoylBLAHcarboxylic p-tolylcarbamoylBLAHcarboxylic

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) 4.31 12.88 -46.89 1 4 -1 69 382.439 3 ↓
Lo Low (pH 4.5-6) 4.31 10.95 -10.59 2 4 0 66 383.447 3 ↓

Analogs

38574069
38574069

Draw Identity 99% 90% 80% 70%

Popular Name: p-tolylcarbamoylBLAHcarboxylic p-tolylcarbamoylBLAHcarboxylic

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) 4.31 13.13 -48.66 1 4 -1 69 382.439 3 ↓
Lo Low (pH 4.5-6) 4.31 11.03 -13.48 2 4 0 66 383.447 3 ↓

Parameters Provided:

ring.id = 591620
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 = 591620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=591620&filter.purchasability=annotated

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