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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(3-pyridyl)-1,3-thiazolidine-4-carboxylic acid, 97% 5,5-Dimethyl-2-(3-pyridyl)-1,3-t…

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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) -0.60 4.18 -45.63 1 4 -1 65 237.304 2 ↓
Lo Low (pH 4.5-6) -0.60 4.67 -58.91 2 4 0 66 238.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(3-pyridyl)-1,3-thiazolidine-4-carboxylic acid, 97% 5,5-Dimethyl-2-(3-pyridyl)-1,3-t…

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) -0.60 4.27 -45.26 1 4 -1 65 237.304 2 ↓
Lo Low (pH 4.5-6) -0.60 4.76 -58.51 2 4 0 66 238.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(3-pyridyl)-1,3-thiazolidine-4-carboxylic acid, 97% 5,5-Dimethyl-2-(3-pyridyl)-1,3-t…

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) -0.60 4.41 -42.29 1 4 -1 65 237.304 2 ↓
Lo Low (pH 4.5-6) -0.60 4.86 -53.86 2 4 0 66 238.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(3-pyridyl)-1,3-thiazolidine-4-carboxylic acid, 97% 5,5-Dimethyl-2-(3-pyridyl)-1,3-t…

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) -0.60 4.66 -47.97 1 4 -1 65 237.304 2 ↓
Lo Low (pH 4.5-6) -0.60 5.12 -59.93 2 4 0 66 238.312 2 ↓

Parameters Provided:

ring.id = 374413
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 = 374413 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=374413&filter.purchasability=annotated

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