UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-benzyl-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[2-(diethylamino)-6-i…

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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) 3.42 11.22 -15.4 1 7 0 80 445.614 9 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfa N-[(2-chlorophenyl)methyl]-2-[2-…

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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) 4.05 11.64 -15.9 1 7 0 80 480.059 9 ↓

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetam 2-[2-(diethylamino)-6-isopropyl-…

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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) 3.87 11.9 -15.36 1 7 0 80 459.641 9 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfa N-[(4-chlorophenyl)methyl]-2-[2-…

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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) 4.10 11.74 -15.81 1 7 0 80 480.059 9 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl] 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 3.38 10.55 -17.38 1 8 0 89 473.624 11 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(2-chlorophenyl)methyl]a 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 3.95 11.68 -16.49 1 7 0 80 478.043 10 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetamide 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 3.77 11.94 -16.02 1 7 0 80 457.625 10 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(3-methoxyphenyl)methyl] 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 3.36 10.55 -17.47 1 8 0 89 473.624 11 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(4-chlorophenyl)methyl]a 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 4.00 11.78 -16.43 1 7 0 80 478.043 10 ↓

Analogs

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Popular Name: 2-[6-allyl-2-(diethylamino)-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[(4-fluorophenyl)methyl]a 2-[6-allyl-2-(diethylamino)-7-ox…

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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) 3.49 11.33 -17.05 1 7 0 80 461.588 10 ↓

Parameters Provided:

ring.id = 389137
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 = 389137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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