UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-5-(2-thienyl)oxazolidine (5S)-5-(2-thienyl)oxazolidine

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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) 1.41 -0.37 -4.01 1 2 0 21 155.222 1 ↓
Mid Mid (pH 6-8) 1.41 1.68 -42.43 2 2 1 26 156.23 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(2-thienyl)oxazolidine (5R)-5-(2-thienyl)oxazolidine

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 -0.3 -4.38 1 2 0 21 155.222 1 ↓
Mid Mid (pH 6-8) 1.41 1.72 -42.95 2 2 1 26 156.23 1 ↓

Analogs

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Popular Name: (5R)-2,2-dimethyl-5-(2-thienyl)oxazolidine (5R)-2,2-dimethyl-5-(2-thienyl)o…

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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) 2.22 1.46 -3.58 1 2 0 21 183.276 1 ↓
Mid Mid (pH 6-8) 2.22 3.18 -39.44 2 2 1 26 184.284 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2,2-dimethyl-5-(2-thienyl)oxazolidine (5S)-2,2-dimethyl-5-(2-thienyl)o…

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) 2.22 1.47 -4.08 1 2 0 21 183.276 1 ↓
Mid Mid (pH 6-8) 2.22 3.24 -39.97 2 2 1 26 184.284 1 ↓

Parameters Provided:

ring.id = 25003
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 = 25003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=25003&filter.purchasability=annotated

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