UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8586550
8586550
8586576
8586576

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Popular Name: 1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-6-(2-naphthyl)-7H-pyrrolo[3,2-e]pyrimid 1-methyl-5-(1-methyl-2,4-dioxo-6…

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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) 2.93 7.16 -61.95 2 10 -1 134 479.476 3 ↓
Mid Mid (pH 6-8) 3.39 4.6 -136.05 1 10 -2 137 478.468 3 ↓
Mid Mid (pH 6-8) 2.48 9.61 -21.79 3 10 0 130 480.484 3 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-7H-pyrrolo[4,5-e]pyr 6-(4-chlorophenyl)-1-methyl-5-(1…

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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) 2.43 5.43 -60.04 2 10 -1 134 463.861 3 ↓
Mid Mid (pH 6-8) 2.88 2.84 -130.84 1 10 -2 137 462.853 3 ↓
Mid Mid (pH 6-8) 1.97 8.19 -20.22 3 10 0 130 464.869 3 ↓

Analogs

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Popular Name: 6-(3-chlorophenyl)-1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-7H-pyrrolo[4,5-e]pyr 6-(3-chlorophenyl)-1-methyl-5-(1…

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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) 2.40 5.42 -58.75 2 10 -1 134 463.861 3 ↓
Mid Mid (pH 6-8) 2.86 2.84 -128.43 1 10 -2 137 462.853 3 ↓
Mid Mid (pH 6-8) 1.95 8.17 -22.21 3 10 0 130 464.869 3 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-7H-pyrrolo[4,5-e]py 6-(4-methoxyphenyl)-1-methyl-5-(…

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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) 1.80 4.19 -62.73 2 11 -1 143 459.442 4 ↓
Mid Mid (pH 6-8) 2.26 1.61 -135.98 1 11 -2 146 458.434 4 ↓
Mid Mid (pH 6-8) 1.35 6.99 -20.99 3 11 0 140 460.45 4 ↓

Parameters Provided:

ring.id = 80347
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 = 80347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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