UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-cyclopropyl-N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide 2-cyclopropyl-N-[2-(2-hydroxyeth…

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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) -1.27 -0.13 -13.98 3 7 0 104 281.312 7 ↓
Hi High (pH 8-9.5) -0.81 -2.54 -53.24 2 7 -1 107 280.304 7 ↓

Analogs

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Popular Name: 4-tert-butyl-2-cyclopropyl-1H-pyrimidin-6-one 4-tert-butyl-2-cyclopropyl-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) 2.08 5.2 -8.11 1 3 0 46 192.262 2 ↓

Analogs

37409013
37409013
5053243
5053243

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Popular Name: 2-cyclopropyl-4-ethyl-1H-pyrimidin-6-one 2-cyclopropyl-4-ethyl-1H-pyrimid…

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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) 0.93 4.21 -8.56 1 3 0 46 164.208 2 ↓

Analogs

5053243
5053243

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Popular Name: 2-cyclopropyl-4-isopropyl-1H-pyrimidin-6-one 2-cyclopropyl-4-isopropyl-1H-pyr…

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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) 1.41 4.82 -8.14 1 3 0 46 178.235 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide 2-cyclopropyl-4-methyl-6-oxo-1H-…

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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) -0.90 0.58 -9.23 3 5 0 89 193.206 2 ↓
Hi High (pH 8-9.5) -0.44 -1.82 -48.97 2 5 -1 92 192.198 2 ↓

Analogs

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Popular Name: 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]acetic 2-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -2.19 2.96 -54.58 2 7 -1 115 250.234 4 ↓
Hi High (pH 8-9.5) -1.74 0.53 -107.08 1 7 -2 118 249.226 4 ↓

Analogs

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Popular Name: 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic 3-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -1.01 3.59 -53.95 2 7 -1 115 264.261 5 ↓
Hi High (pH 8-9.5) -0.55 1.18 -106.8 1 7 -2 118 263.253 5 ↓

Analogs

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Popular Name: 4-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic 4-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -0.74 4.39 -53.24 2 7 -1 115 278.288 6 ↓
Hi High (pH 8-9.5) -0.28 1.98 -103.82 1 7 -2 118 277.28 6 ↓

Analogs

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Popular Name: 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methyl-amino]acetic 2-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -2.42 4.62 -57.95 1 7 -1 106 264.261 4 ↓
Hi High (pH 8-9.5) -1.96 2.87 -127.92 0 7 -2 109 263.253 4 ↓

Analogs

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Popular Name: 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]oxyacetic 2-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -1.32 4.32 -57.84 2 8 -1 124 266.233 5 ↓
Hi High (pH 8-9.5) -0.86 2.05 -109.63 1 8 -2 127 265.225 5 ↓

Analogs

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Popular Name: 5-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic 5-[(2-cyclopropyl-4-methyl-6-oxo…

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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) -0.23 5.17 -53.37 2 7 -1 115 292.315 7 ↓
Hi High (pH 8-9.5) 0.22 2.76 -104.23 1 7 -2 118 291.307 7 ↓
Lo Low (pH 4.5-6) -0.23 3.19 -14.37 3 7 0 112 293.323 7 ↓

Analogs

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Popular Name: (4S)-4-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic (4S)-4-[(2-cyclopropyl-4-methyl-…

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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) -0.41 5.4 -53.93 2 7 -1 115 292.315 6 ↓
Hi High (pH 8-9.5) 0.05 2.97 -102.39 1 7 -2 118 291.307 6 ↓
Lo Low (pH 4.5-6) -0.41 3.42 -11.9 3 7 0 112 293.323 6 ↓

Analogs

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Popular Name: (4R)-4-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic (4R)-4-[(2-cyclopropyl-4-methyl-…

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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) -0.41 5.38 -53.34 2 7 -1 115 292.315 6 ↓
Hi High (pH 8-9.5) 0.05 2.97 -112.1 1 7 -2 118 291.307 6 ↓
Lo Low (pH 4.5-6) -0.41 3.4 -12.04 3 7 0 112 293.323 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) -0.33 4.6 -12.92 2 7 0 101 293.323 7 ↓
Hi High (pH 8-9.5) 0.13 2.21 -53.95 1 7 -1 104 292.315 7 ↓

Parameters Provided:

ring.id = 36263
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 = 36263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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