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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34477971
34477971

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxy-5,6-dimethyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(4-hydroxy-5,6-dimethyl-pyrimi…

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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) 1.01 1.4 -41.86 2 8 -1 127 327.367 4 ↓
Hi High (pH 8-9.5) 1.47 1.26 -114.94 1 8 -2 130 326.359 4 ↓
Lo Low (pH 4.5-6) 1.01 0.41 -15.52 3 8 0 125 328.375 4 ↓

Analogs

34477971
34477971

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(5-ethyl-4-hydroxy-6-methyl-py…

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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) 1.48 2.12 -42.61 2 8 -1 127 341.394 5 ↓
Hi High (pH 8-9.5) 1.93 1.98 -116.56 1 8 -2 130 340.386 5 ↓
Lo Low (pH 4.5-6) 1.48 1.11 -15.45 3 8 0 125 342.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-hydroxy-6-methyl-5-propyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(4-hydroxy-6-methyl-5-propyl-p…

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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) 1.87 2.9 -42.71 2 8 -1 127 355.421 6 ↓
Hi High (pH 8-9.5) 2.32 2.75 -117.48 1 8 -2 130 354.413 6 ↓
Lo Low (pH 4.5-6) 1.87 1.88 -15.42 3 8 0 125 356.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-butyl-4-hydroxy-6-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(5-butyl-4-hydroxy-6-methyl-py…

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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) 2.42 3.67 -42.75 2 8 -1 127 369.448 7 ↓
Hi High (pH 8-9.5) 2.88 3.53 -117.86 1 8 -2 130 368.44 7 ↓
Lo Low (pH 4.5-6) 2.42 2.66 -15.4 3 8 0 125 370.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethyl-6-hydroxy-5-methyl-pyrimidin-2-yl)-3-(2-thienylsulfonyl)urea 1-(4-ethyl-6-hydroxy-5-methyl-py…

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) 1.58 2.03 -41.45 2 8 -1 127 341.394 5 ↓
Hi High (pH 8-9.5) 2.04 1.9 -115.02 1 8 -2 130 340.386 5 ↓
Lo Low (pH 4.5-6) 1.58 1.08 -15.17 3 8 0 125 342.402 5 ↓

Parameters Provided:

ring.id = 136077
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 = 136077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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