UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[(R)-hydroxy-(4-pyridyl)methyl]thiazolo[3,2-a]benzimidazol-1-one (2S)-2-[(R)-hydroxy-(4-pyridyl)m…

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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) 1.67 4.76 -12.97 1 5 0 68 297.339 2 ↓
Mid Mid (pH 6-8) 1.67 5.2 -35.77 2 5 1 69 298.347 2 ↓
Lo Low (pH 4.5-6) 1.67 5.48 -88.58 3 5 2 71 299.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(S)-hydroxy-(4-pyridyl)methyl]thiazolo[3,2-a]benzimidazol-1-one (2S)-2-[(S)-hydroxy-(4-pyridyl)m…

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) 1.67 5.52 -13.45 1 5 0 68 297.339 2 ↓
Mid Mid (pH 6-8) 1.67 5.97 -35.74 2 5 1 69 298.347 2 ↓
Lo Low (pH 4.5-6) 1.67 6.24 -88.21 3 5 2 71 299.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(S)-hydroxy-(4-pyridyl)methyl]thiazolo[3,2-a]benzimidazol-1-one (2R)-2-[(S)-hydroxy-(4-pyridyl)m…

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) 1.67 4.68 -12.94 1 5 0 68 297.339 2 ↓
Mid Mid (pH 6-8) 1.67 5.13 -35.82 2 5 1 69 298.347 2 ↓
Lo Low (pH 4.5-6) 1.67 5.41 -88.95 3 5 2 71 299.355 2 ↓

Parameters Provided:

ring.id = 133412
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 = 133412 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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