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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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

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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) 4.21 10.99 -37.73 2 4 1 48 362.478 5 ↓
Mid Mid (pH 6-8) 4.21 10.57 -12.2 1 4 0 46 361.47 5 ↓

Analogs

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

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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) 4.21 11.19 -37.34 2 4 1 48 362.478 5 ↓
Mid Mid (pH 6-8) 4.21 10.77 -11.57 1 4 0 46 361.47 5 ↓

Analogs

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

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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) 3.76 10.32 -37.72 2 4 1 48 348.451 5 ↓
Hi High (pH 8-9.5) 3.76 9.89 -12.12 1 4 0 46 347.443 5 ↓
Lo Low (pH 4.5-6) 3.76 11.38 -118.39 3 4 2 52 349.459 5 ↓

Analogs

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

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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) 4.23 11.73 -33.26 1 4 1 39 376.505 5 ↓
Hi High (pH 8-9.5) 4.23 11.64 -10.08 0 4 0 38 375.497 5 ↓

Parameters Provided:

ring.id = 169363
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 = 169363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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