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

Analogs

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Popular Name: 6-(4-chlorophenyl)-5-(1,3-dimethyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-1,3-dimethyl-7H-pyrrolo[4 6-(4-chlorophenyl)-5-(1,3-dimeth…

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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) 2.10 12.64 -17.34 1 10 0 109 492.923 3 ↓

Analogs

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Popular Name: 6-(3-chlorophenyl)-5-(1,3-dimethyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-1,3-dimethyl-7H-pyrrolo[4 6-(3-chlorophenyl)-5-(1,3-dimeth…

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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) 2.08 12.64 -16.09 1 10 0 109 492.923 3 ↓

Analogs

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Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(3-fluoro-4-methoxy-phenyl)-1,7-dihydropyrrolo[3,2-e 5-(2,4-dioxo-6-pyrrol-1-yl-1H-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) 1.30 3.64 -22.43 5 11 0 161 450.386 4 ↓
Hi High (pH 8-9.5) 2.22 0.73 -109.91 3 11 -2 168 448.37 4 ↓
Mid Mid (pH 6-8) 1.76 2.51 -48.25 4 11 -1 164 449.378 4 ↓

Analogs

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Popular Name: 5-(1,3-dimethyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-6-(3-fluoro-4-methoxy-phenyl)-1,3-dimethyl-7 5-(1,3-dimethyl-2,4-dioxo-6-pyrr…

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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) 1.57 11.49 -17.8 1 11 0 118 506.494 4 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)-5-(1,3-dimethyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-1,3-dimethyl-7H-pyrr 6-(3,4-dimethoxyphenyl)-5-(1,3-d…

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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) 1.07 11.33 -19.57 1 12 0 127 518.53 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(4-methoxyphenyl)-1,7-dihydropyrrolo[3,2-e]pyrimidin 5-(2,4-dioxo-6-pyrrol-1-yl-1H-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) 1.21 3.34 -23.4 5 11 0 161 432.396 4 ↓
Hi High (pH 8-9.5) 2.13 0.42 -113.66 3 11 -2 168 430.38 4 ↓
Mid Mid (pH 6-8) 1.67 2.2 -51.12 4 11 -1 164 431.388 4 ↓

Analogs

8991796
8991796
9052845
9052845

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Popular Name: 5-(2,4-dioxo-6-pyrrol-1-yl-1H-pyrimidin-5-yl)-6-(4-ethylphenyl)-1,7-dihydropyrrolo[3,2-e]pyrimidine- 5-(2,4-dioxo-6-pyrrol-1-yl-1H-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) 2.07 5.46 -21.88 5 10 0 152 430.424 4 ↓
Hi High (pH 8-9.5) 2.99 2.55 -114.25 3 10 -2 158 428.408 4 ↓
Mid Mid (pH 6-8) 2.53 4.32 -50.48 4 10 -1 155 429.416 4 ↓

Analogs

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Popular Name: 5-(1,3-dimethyl-2,4-dioxo-6-pyrrol-1-yl-pyrimidin-5-yl)-6-(2,4-dimethylphenyl)-1,3-dimethyl-7H-pyrro 5-(1,3-dimethyl-2,4-dioxo-6-pyrr…

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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) 2.25 13.4 -15.79 1 10 0 109 486.532 3 ↓

Parameters Provided:

ring.id = 80362
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 = 80362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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