UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carboxylic 2-[5-[ethyl(methyl)BLAHyl]-2,4-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) 3.05 14.73 -57.13 1 8 -1 121 465.489 4 ↓
Hi High (pH 8-9.5) 3.50 12.29 -127.54 0 8 -2 124 464.481 4 ↓

Analogs

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Popular Name: 2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-4-carboxylic 2-[5-[ethyl(methyl)BLAHyl]-2,4-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) 3.05 14.73 -57.03 1 8 -1 121 465.489 4 ↓
Hi High (pH 8-9.5) 3.50 12.28 -127.03 0 8 -2 124 464.481 4 ↓

Analogs

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Popular Name: 2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetic 2-[[2-[5-[ethyl(methyl)BLAHyl]-2…

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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) 1.66 15.86 -51.75 2 12 -1 179 539.528 7 ↓
Hi High (pH 8-9.5) 2.11 13.42 -110.89 1 12 -2 182 538.52 7 ↓

Analogs

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Popular Name: 2-[[2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetic 2-[[2-[5-[ethyl(methyl)BLAHyl]-2…

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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) 1.66 15.86 -51.78 2 12 -1 179 539.528 7 ↓
Hi High (pH 8-9.5) 2.11 13.42 -110.49 1 12 -2 182 538.52 7 ↓

Analogs

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Popular Name: 4-[(2-tert-butoxy-2-oxo-ethyl)amino]-2-[5-(dimethylBLAHyl)-2,4-dioxo-pyrimidin-1-yl]pyrimidine-5-car 4-[(2-tert-butoxy-2-oxo-ethyl)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) 3.35 17.14 -47.19 2 11 -1 159 580.621 8 ↓
Hi High (pH 8-9.5) 3.81 14.69 -104.67 1 11 -2 162 579.613 8 ↓
Lo Low (pH 4.5-6) 0.60 17.55 -37.93 3 11 0 163 581.629 7 ↓

Analogs

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Popular Name: 2-[[5-amino-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-4-yl]amino]acetic 2-[[5-amino-2-[5-[ethyl(methyl)B…

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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) 1.18 13.09 -51.91 4 10 -1 159 509.546 6 ↓
Hi High (pH 8-9.5) 1.64 10.66 -119.3 3 10 -2 162 508.538 6 ↓
Lo Low (pH 4.5-6) -1.11 10.7 -133.67 5 10 0 167 510.554 5 ↓

Analogs

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Popular Name: 2-[[5-amino-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidin-4-yl]amino]acetic 2-[[5-amino-2-[5-[ethyl(methyl)B…

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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) 1.18 13.09 -51.84 4 10 -1 159 509.546 6 ↓
Hi High (pH 8-9.5) 1.64 10.66 -118.86 3 10 -2 162 508.538 6 ↓
Lo Low (pH 4.5-6) 1.18 13.26 -125.35 6 10 1 162 511.562 6 ↓

Analogs

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Popular Name: 4-(carboxymethylamino)-2-[5-(dimethylBLAHyl)-2,4-dioxo-pyrimidin-1-yl]pyrimidine-5-carboxylic 4-(carboxymethylamino)-2-[5-(dim…

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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) 0.64 15.02 -110.75 2 11 -2 173 523.505 6 ↓
Hi High (pH 8-9.5) 1.09 12.58 -190.22 1 11 -3 176 522.497 6 ↓
Lo Low (pH 4.5-6) -2.11 15.44 -79.13 3 11 -1 177 524.513 5 ↓

Analogs

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Popular Name: 4-[tert-butoxycarbonyl(methyl)amino]-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine- 4-[tert-butoxycarbonyl(methyl)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) 4.05 18.61 -50.7 1 11 -1 150 594.648 7 ↓
Hi High (pH 8-9.5) 4.51 16.16 -113.28 0 11 -2 153 593.64 7 ↓

Analogs

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Popular Name: 4-[tert-butoxycarbonyl(methyl)amino]-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine- 4-[tert-butoxycarbonyl(methyl)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) 4.05 18.61 -50.78 1 11 -1 150 594.648 7 ↓
Hi High (pH 8-9.5) 4.51 16.15 -112.9 0 11 -2 153 593.64 7 ↓

Analogs

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Popular Name: 4-(carboxymethylamino)-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-5-carboxylic 4-(carboxymethylamino)-2-[5-[eth…

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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) 1.10 15.79 -110.75 2 11 -2 173 537.532 7 ↓
Hi High (pH 8-9.5) 1.56 13.35 -190.52 1 11 -3 176 536.524 7 ↓
Lo Low (pH 4.5-6) -1.65 16.21 -79.09 3 11 -1 177 538.54 6 ↓

Analogs

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Popular Name: 4-(carboxymethylamino)-2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]pyrimidine-5-carboxylic 4-(carboxymethylamino)-2-[5-[eth…

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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) 1.10 15.79 -110.62 2 11 -2 173 537.532 7 ↓
Hi High (pH 8-9.5) 1.56 13.35 -190.09 1 11 -3 176 536.524 7 ↓
Lo Low (pH 4.5-6) -1.65 16.21 -79.2 3 11 -1 177 538.54 6 ↓

Parameters Provided:

ring.id = 198062
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 = 198062 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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