UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-[[[(1R)-2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1R)-2,2-dimethyl-1-(2-thie…

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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) 3.99 8.86 -33.79 2 4 1 48 348.517 5 ↓
Hi High (pH 8-9.5) 3.99 8.46 -9.44 1 4 0 46 347.509 5 ↓

Analogs

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Popular Name: 7-[[[(1S)-2,2-dimethyl-1-(2-thienyl)propyl]amino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1S)-2,2-dimethyl-1-(2-thie…

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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) 3.99 8.73 -31.62 2 4 1 48 348.517 5 ↓
Hi High (pH 8-9.5) 3.99 8.33 -10.07 1 4 0 46 347.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[[methyl(2-thienylmethyl)amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[methyl(2-thienylmethyl)amino…

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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) 2.13 6.35 -33.88 1 4 1 39 292.409 4 ↓
Hi High (pH 8-9.5) 2.13 6.47 -11.76 0 4 0 38 291.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-7-[[methyl(2-thienylmethyl)amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 3-methyl-7-[[methyl(2-thienylmet…

Find On: PubMed — Wikipedia — Google

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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) 2.35 6.92 -33.94 1 4 1 39 306.436 4 ↓
Hi High (pH 8-9.5) 2.35 6.52 -10.88 0 4 0 38 305.428 4 ↓

Parameters Provided:

ring.id = 26865
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 = 26865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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