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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-amino-4-(3-chloro-5-fluoro-anilino)-1H-pyrimidin-6-one 2-amino-4-(3-chloro-5-fluoro-ani…

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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) 2.37 4.17 -19.2 4 5 0 84 254.652 2 ↓

Analogs

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Popular Name: 2-amino-4-(3,5-difluoroanilino)-1H-pyrimidin-6-one 2-amino-4-(3,5-difluoroanilino)-…

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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) 1.85 3.71 -19.47 4 5 0 84 238.197 2 ↓

Analogs

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Popular Name: 2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one 2-amino-4-(3,4-difluoroanilino)-…

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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) 1.85 3.7 -21.5 4 5 0 84 238.197 2 ↓

Analogs

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Popular Name: 2-amino-4-(4-chloro-3-fluoro-anilino)-1H-pyrimidin-6-one 2-amino-4-(4-chloro-3-fluoro-ani…

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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) 2.37 4.15 -20.7 4 5 0 84 254.652 2 ↓

Analogs

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Popular Name: 2-amino-4-(3-chloro-4-fluoro-anilino)-1H-pyrimidin-6-one 2-amino-4-(3-chloro-4-fluoro-ani…

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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) 2.37 4.15 -20.69 4 5 0 84 254.652 2 ↓

Analogs

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Popular Name: 6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-ol 6-(4-bromo-2-fluoro-anilino)-5-n…

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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) 2.58 7.47 -21.95 2 7 0 104 329.085 3 ↓
Mid Mid (pH 6-8) 3.04 4.97 -41.53 1 7 -1 107 328.077 3 ↓

Analogs

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Popular Name: 6-(3-bromoanilino)-5-nitro-pyrimidin-4-ol 6-(3-bromoanilino)-5-nitro-pyrim…

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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) 2.47 7.2 -20.88 2 7 0 104 311.095 3 ↓
Mid Mid (pH 6-8) 2.92 4.76 -43.17 1 7 -1 107 310.087 3 ↓

Analogs

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Popular Name: 6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-ol 6-[4-chloro-3-(trifluoromethyl)a…

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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) 3.18 8 -22.36 2 7 0 104 334.641 4 ↓
Mid Mid (pH 6-8) 3.64 5.55 -40.14 1 7 -1 107 333.633 4 ↓

Analogs

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Popular Name: 6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-ol 6-(3-chloro-4-fluoro-anilino)-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) 2.45 7.15 -21.78 2 7 0 104 284.634 3 ↓
Mid Mid (pH 6-8) 2.91 4.7 -40.26 1 7 -1 107 283.626 3 ↓

Analogs

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Popular Name: N-[4-[(6-hydroxy-5-nitro-pyrimidin-4-yl)amino]phenyl]acetamide N-[4-[(6-hydroxy-5-nitro-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) 0.90 5.63 -26.35 3 9 0 133 289.251 4 ↓
Mid Mid (pH 6-8) 1.36 3.03 -50.99 2 9 -1 136 288.243 4 ↓

Analogs

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Popular Name: 6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-ol 6-(5-chloro-2,4-dimethoxy-anilin…

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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) 2.33 6.04 -23.18 2 9 0 122 326.696 5 ↓
Mid Mid (pH 6-8) 2.79 3.51 -46.63 1 9 -1 125 325.688 5 ↓

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) 2.20 8.14 -24.95 2 9 0 130 304.262 6 ↓
Mid Mid (pH 6-8) 2.66 5.69 -48.5 1 9 -1 133 303.254 6 ↓

Analogs

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Popular Name: 5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-ol 5-nitro-6-[4-(trifluoromethoxy)a…

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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) 2.65 6.36 -21.3 2 8 0 113 316.195 5 ↓
Mid Mid (pH 6-8) 3.11 3.92 -41.09 1 8 -1 116 315.187 5 ↓

Analogs

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Popular Name: 5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-ol 5-nitro-6-[4-(trifluoromethyl)an…

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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) 2.58 7.58 -21.61 2 7 0 104 300.196 4 ↓
Mid Mid (pH 6-8) 3.03 5.14 -41.15 1 7 -1 107 299.188 4 ↓

Analogs

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Popular Name: 6-(2,5-difluoroanilino)-5-nitro-pyrimidin-4-ol 6-(2,5-difluoroanilino)-5-nitro-…

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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) 1.94 6.75 -21.3 2 7 0 104 268.179 3 ↓
Mid Mid (pH 6-8) 2.39 4.4 -43.38 1 7 -1 107 267.171 3 ↓

Analogs

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Popular Name: 6-(2,4-difluoroanilino)-5-nitro-pyrimidin-4-ol 6-(2,4-difluoroanilino)-5-nitro-…

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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) 1.94 6.75 -21.81 2 7 0 104 268.179 3 ↓
Mid Mid (pH 6-8) 2.39 4.4 -41.69 1 7 -1 107 267.171 3 ↓

Analogs

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Popular Name: 6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-ol 6-(3,4-difluoroanilino)-5-nitro-…

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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) 1.94 6.7 -22.59 2 7 0 104 268.179 3 ↓
Mid Mid (pH 6-8) 2.39 4.25 -41.98 1 7 -1 107 267.171 3 ↓

Analogs

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Popular Name: methyl 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) 1.79 9.32 -21.27 1 9 0 121 304.262 5 ↓
Hi High (pH 8-9.5) 2.25 5.58 -52.25 0 9 -1 124 303.254 5 ↓

Analogs

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Popular Name: 6-(2-ethoxyanilino)-5-nitro-pyrimidin-4-ol 6-(2-ethoxyanilino)-5-nitro-pyri…

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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 7.1 -22.85 2 8 0 113 276.252 5 ↓
Mid Mid (pH 6-8) 2.52 4.57 -47.43 1 8 -1 116 275.244 5 ↓

Analogs

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Popular Name: 5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-ol 5-amino-6-(N-ethyl-3-methyl-anil…

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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) 1.81 5.36 -10.58 3 5 0 75 244.298 3 ↓

Parameters Provided:

ring.id = 244962
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 = 244962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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