UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carbonyl]amino]-2-(2H-tetr (2S)-2-[[2-[5-[ethyl(methyl)BLAH…

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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) 1.00 13.14 -117 3 15 -2 215 604.587 8 ↓
Hi High (pH 8-9.5) 1.46 10.51 -197.23 2 15 -3 218 603.579 8 ↓
Mid Mid (pH 6-8) 1.00 13.25 -49.08 4 15 -1 216 605.595 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carbonyl]amino]-2-(2H-tetr (2S)-2-[[2-[5-[ethyl(methyl)BLAH…

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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) 1.00 13.14 -116.9 3 15 -2 215 604.587 8 ↓
Hi High (pH 8-9.5) 1.46 10.51 -196.65 2 15 -3 218 603.579 8 ↓
Mid Mid (pH 6-8) 1.00 13.25 -48.98 4 15 -1 216 605.595 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carbonyl]amino]-2-(2H-tetr (2R)-2-[[2-[5-[ethyl(methyl)BLAH…

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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) 1.00 12.95 -116.84 3 15 -2 215 604.587 8 ↓
Hi High (pH 8-9.5) 1.46 10.72 -196.54 2 15 -3 218 603.579 8 ↓
Mid Mid (pH 6-8) 1.00 13.05 -49.1 4 15 -1 216 605.595 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carbonyl]amino]-2-(2H-tetr (2R)-2-[[2-[5-[ethyl(methyl)BLAH…

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) 1.00 12.96 -116.78 3 15 -2 215 604.587 8 ↓
Hi High (pH 8-9.5) 1.46 10.71 -195.99 2 15 -3 218 603.579 8 ↓
Mid Mid (pH 6-8) 1.00 13.05 -49.11 4 15 -1 216 605.595 8 ↓

Parameters Provided:

ring.id = 198073
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 = 198073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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