UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-2-(5-formyl-2-hydroxy-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d] 2-[(1S)-2-(5-formyl-2-hydroxy-an…

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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) 3.07 4.04 -57.33 3 9 -1 152 432.459 6 ↓
Hi High (pH 8-9.5) 3.07 4.82 -92.69 2 9 -2 155 431.451 6 ↓
Hi High (pH 8-9.5) 3.53 2.84 -103.17 2 9 -2 155 431.451 6 ↓

Analogs

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Popular Name: 2-[(5,6-dimethyl-4-oxo-1H-thieno[3,2-e]pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide 2-[(5,6-dimethyl-4-oxo-1H-thieno…

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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) 3.63 5.47 -17.15 2 6 0 84 375.475 5 ↓
Hi High (pH 8-9.5) 4.09 4.15 -48.99 1 6 -1 87 374.467 5 ↓

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Popular Name: 4-[[4-[[2-(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]phenyl]sulfonylam 4-[[4-[[2-(4-hydroxy-5,6-dimethy…

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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) 2.48 4.54 -63.19 3 10 -1 161 509.611 10 ↓
Hi High (pH 8-9.5) 2.93 3.23 -101.2 2 10 -2 164 508.603 10 ↓

Analogs

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Popular Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxo-ethyl]sulfanyl-4-hydroxy-5-methyl-thieno[4,5-e]pyrimidine 2-[2-[(4-ethoxycarbonylphenyl)am…

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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 7.45 -58.31 2 9 -1 141 446.486 8 ↓
Hi High (pH 8-9.5) 4.21 6.26 -102.99 1 9 -2 144 445.478 8 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[(7-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl)sulf N-(2,5-dimethoxyphenyl)-2-[(7-me…

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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) 3.44 4.05 -19.35 2 7 0 93 391.474 6 ↓
Hi High (pH 8-9.5) 3.90 2.71 -50.17 1 7 -1 96 390.466 6 ↓

Parameters Provided:

ring.id = 18269
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 = 18269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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