UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25497679
25497679
11991392
11991392

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Popular Name: 4-(4-Hydroxy-6-methyl-pyrimidin-2-ylamino)-benzoic acid 4-(4-Hydroxy-6-methyl-pyrimidin-…

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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) 2.12 5.94 -58.08 2 6 -1 98 244.23 3 ↓

Analogs

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Popular Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)amino]-6-methyl-3H-pyrimidin-4-one 2-[(4-chloro-2,5-dimethoxy-pheny…

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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) 2.86 -0.61 -10.68 2 6 0 76 295.726 4 ↓

Analogs

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Popular Name: 6-Ethyl-2-(4-methoxy-phenylamino)-pyrimidin-4-ol 6-Ethyl-2-(4-methoxy-phenylamino…

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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) 2.84 -0.51 -10.53 2 5 0 67 245.282 4 ↓

Analogs

17991038
17991038
19793440
19793440

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Popular Name: 4-(4-Ethyl-6-hydroxy-pyrimidin-2-ylamino)-benzoic acid 4-(4-Ethyl-6-hydroxy-pyrimidin-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) 2.69 7.64 -52.13 2 6 -1 98 258.257 4 ↓

Analogs

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Popular Name: 6-Ethyl-2-(3-fluoro-phenylamino)-pyrimidin-4-ol 6-Ethyl-2-(3-fluoro-phenylamino)…

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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) 2.92 0.22 -10.99 2 4 0 58 233.246 3 ↓

Analogs

12112771
12112771
11731187
11731187
11757470
11757470

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Popular Name: 3-(4-Ethyl-6-hydroxy-pyrimidin-2-ylamino)-benzoic acid 3-(4-Ethyl-6-hydroxy-pyrimidin-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) 2.67 7.67 -49.91 2 6 -1 98 258.257 4 ↓

Analogs

1280908
1280908
1281277
1281277

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Popular Name: 2-[(3,4-dimethoxyphenyl)amino]-3H-pyrimidin-4-one 2-[(3,4-dimethoxyphenyl)amino]-3…

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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) 1.42 -0.41 -13.09 2 6 0 76 247.254 4 ↓

Analogs

1281277
1281277

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Popular Name: 2-[(4-isopropoxyphenyl)amino]-3H-pyrimidin-4-one 2-[(4-isopropoxyphenyl)amino]-3H…

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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) 2.57 -0.43 -10.86 2 5 0 67 245.282 4 ↓

Analogs

1280908
1280908
1281277
1281277

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Popular Name: 2-[(4-propoxyphenyl)amino]-3H-pyrimidin-4-one 2-[(4-propoxyphenyl)amino]-3H-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) 2.71 -0.65 -10.46 2 5 0 67 245.282 5 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.66 0.62 -14.93 2 6 0 84 273.292 5 ↓

Analogs

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Popular Name: 2-[(4-isobutoxyphenyl)amino]-6-propyl-3H-pyrimidin-4-one 2-[(4-isobutoxyphenyl)amino]-6-p…

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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) 4.47 0.04 -9.79 2 5 0 67 301.39 7 ↓

Analogs

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Popular Name: N-[3-[(4-oxo-6-propyl-3H-pyrimidin-2-yl)amino]phenyl]acetamide N-[3-[(4-oxo-6-propyl-3H-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) 2.48 -1.49 -14.15 3 6 0 87 286.335 5 ↓

Analogs

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Popular Name: N-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide N-[3-[(4-methyl-6-oxo-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) 1.41 -1.72 -14.76 3 6 0 87 258.281 3 ↓

Analogs

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Popular Name: 2-[2-[(3-aminophenyl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic 2-[2-[(3-aminophenyl)amino]-4-me…

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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) 0.62 5.43 -58.3 4 7 -1 124 273.272 4 ↓

Analogs

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Popular Name: N-butyl-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]acetamide N-butyl-2-[2-(3,5-dimethylanilin…

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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) 3.65 10.75 -17.12 2 6 0 76 342.443 7 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]-N-[(1R)-1-methylpropyl]acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 3.42 10.99 -17.2 2 6 0 76 342.443 6 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]-N-[(1S)-1-methylpropyl]acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 3.42 10.99 -17.24 2 6 0 76 342.443 6 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]-N-isopentyl-acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 3.86 11.26 -17.14 2 6 0 76 356.47 7 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]-N,N-dipropyl-acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 4.21 13.73 -17.16 1 6 0 67 370.497 8 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]-N-isopropyl-acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 2.88 10.02 -17.49 2 6 0 76 328.416 5 ↓

Analogs

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Popular Name: 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxo-pyrimidin-1-yl]acetamide 2-[2-(3,5-dimethylanilino)-4-met…

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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) 1.84 6.89 -17.86 3 6 0 90 286.335 4 ↓

Analogs

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Popular Name: 2-(3-Fluoro-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(3-Fluoro-phenylamino)-6-metho…

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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) 2.32 5.47 -12.28 2 5 0 67 249.245 4 ↓
Hi High (pH 8-9.5) 2.78 3.81 -46.85 1 5 -1 70 248.237 4 ↓

Analogs

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Popular Name: 2-(3-Fluoro-phenylamino)-6-isopropyl-pyrimidin-4-ol 2-(3-Fluoro-phenylamino)-6-isopr…

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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) 3.41 7.89 -9.38 2 4 0 58 247.273 3 ↓

Analogs

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Popular Name: 2-(3-Bromo-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(3-Bromo-phenylamino)-6-methox…

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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) 2.97 6.02 -11.48 2 5 0 67 310.151 4 ↓
Hi High (pH 8-9.5) 3.43 4.37 -47 1 5 -1 70 309.143 4 ↓

Analogs

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Popular Name: 2-(4-Chloro-3-trifluoromethyl-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(4-Chloro-3-trifluoromethyl-ph…

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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) 3.68 6.73 -10.83 2 5 0 67 333.697 5 ↓
Hi High (pH 8-9.5) 4.14 5.17 -44.02 1 5 -1 70 332.689 5 ↓

Analogs

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Popular Name: 2-(4-Fluoro-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(4-Fluoro-phenylamino)-6-metho…

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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) 2.35 5.47 -11.32 2 5 0 67 249.245 4 ↓
Hi High (pH 8-9.5) 2.80 3.81 -48.81 1 5 -1 70 248.237 4 ↓

Analogs

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Popular Name: 2-(4-Fluoro-phenylamino)-6-isopropyl-pyrimidin-4-ol 2-(4-Fluoro-phenylamino)-6-isopr…

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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) 3.43 7.89 -9.87 2 4 0 58 247.273 3 ↓

Analogs

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Popular Name: 4-butyl-2-(4-fluoroanilino)-1H-pyrimidin-6-one 4-butyl-2-(4-fluoroanilino)-1H-p…

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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) 4.01 8.73 -10.01 2 4 0 58 261.3 5 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-methoxyphenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3-chloro-4-methoxyphenyl)ami…

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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) 2.85 5.25 -13.5 2 6 0 76 295.726 5 ↓
Hi High (pH 8-9.5) 3.30 3.6 -47.77 1 6 -1 79 294.718 5 ↓

Analogs

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Popular Name: 6-Methoxymethyl-2-(3-trifluoromethyl-phenylamino)-pyrimidin-4-ol 6-Methoxymethyl-2-(3-trifluorome…

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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 6.32 -10.36 2 5 0 67 299.252 5 ↓
Hi High (pH 8-9.5) 3.51 4.76 -46.25 1 5 -1 70 298.244 5 ↓

Analogs

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Popular Name: 6-Methoxymethyl-2-(4-methoxy-phenylamino)-pyrimidin-4-ol 6-Methoxymethyl-2-(4-methoxy-phe…

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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) 2.24 4.69 -11.8 2 6 0 76 261.281 5 ↓
Hi High (pH 8-9.5) 2.70 3.04 -52.54 1 6 -1 79 260.273 5 ↓

Analogs

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Popular Name: 6-Isopropyl-2-(4-methoxy-phenylamino)-pyrimidin-4-ol 6-Isopropyl-2-(4-methoxy-phenyla…

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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) 3.33 7.11 -10.45 2 5 0 67 259.309 4 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3,4-dimethylphenyl)amino]-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) 3.01 6.63 -10.58 2 5 0 67 259.309 4 ↓
Hi High (pH 8-9.5) 3.47 5.1 -52.24 1 5 -1 70 258.301 4 ↓

Analogs

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Popular Name: 2-[(4-ethoxyphenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(4-ethoxyphenyl)amino]-6-(met…

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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) 2.62 5.63 -11.87 2 6 0 76 275.308 6 ↓
Hi High (pH 8-9.5) 3.07 4.07 -50.86 1 6 -1 79 274.3 6 ↓

Analogs

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Popular Name: 2-[(3,4-dichlorophenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3,4-dichlorophenyl)amino]-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) 3.47 6.38 -11.99 2 5 0 67 300.145 4 ↓
Hi High (pH 8-9.5) 3.92 4.73 -44.99 1 5 -1 70 299.137 4 ↓

Analogs

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Popular Name: 2-(3,4-dichloroanilino)-4-ethyl-1H-pyrimidin-6-one 2-(3,4-dichloroanilino)-4-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) 4.07 8.08 -10.83 2 4 0 58 284.146 3 ↓

Analogs

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Popular Name: 2-(3-Chloro-4-fluoro-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(3-Chloro-4-fluoro-phenylamino…

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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) 2.95 5.97 -12.71 2 5 0 67 283.69 4 ↓
Hi High (pH 8-9.5) 3.41 4.32 -44.95 1 5 -1 70 282.682 4 ↓

Analogs

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Popular Name: 6-Methoxymethyl-2-phenylamino-pyrimidin-4-ol 6-Methoxymethyl-2-phenylamino-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) 2.18 5.4 -10.58 2 5 0 67 231.255 4 ↓
Hi High (pH 8-9.5) 2.64 3.74 -51.42 1 5 -1 70 230.247 4 ↓

Analogs

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Popular Name: 2-(4-Chloro-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(4-Chloro-phenylamino)-6-metho…

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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) 2.86 5.92 -10.72 2 5 0 67 265.7 4 ↓
Hi High (pH 8-9.5) 3.32 4.27 -48.48 1 5 -1 70 264.692 4 ↓

Analogs

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Popular Name: 2-(4-Chloro-phenylamino)-6-isopropyl-pyrimidin-4-ol 2-(4-Chloro-phenylamino)-6-isopr…

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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) 3.95 8.34 -9.35 2 4 0 58 263.728 3 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3-chlorophenyl)amino]-6-(met…

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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) 2.84 5.92 -11.48 2 5 0 67 265.7 4 ↓
Hi High (pH 8-9.5) 3.29 4.26 -47.1 1 5 -1 70 264.692 4 ↓

Analogs

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Popular Name: 6-(methoxymethyl)-2-[(3-methylphenyl)amino]pyrimidin-4(3H)-one 6-(methoxymethyl)-2-[(3-methylph…

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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) 2.61 6.08 -10.44 2 5 0 67 245.282 4 ↓
Hi High (pH 8-9.5) 3.07 4.52 -52.09 1 5 -1 70 244.274 4 ↓

Analogs

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Popular Name: 2-[(3,4-dimethoxyphenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3,4-dimethoxyphenyl)amino]-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) 1.83 4.6 -13.41 2 7 0 85 291.307 6 ↓
Hi High (pH 8-9.5) 2.29 2.94 -51.53 1 7 -1 89 290.299 6 ↓

Analogs

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Popular Name: 6-Methoxymethyl-2-p-tolylamino-pyrimidin-4-ol 6-Methoxymethyl-2-p-tolylamino-p…

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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) 2.63 6.08 -10.56 2 5 0 67 245.282 4 ↓
Hi High (pH 8-9.5) 3.09 4.54 -51.71 1 5 -1 70 244.274 4 ↓

Analogs

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Popular Name: 6-Isopropyl-2-p-tolylamino-pyrimidin-4-ol 6-Isopropyl-2-p-tolylamino-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) 3.72 8.4 -9.04 2 4 0 58 243.31 3 ↓

Analogs

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Popular Name: 2-[(3-chloro-4-methylphenyl)amino]-6-(methoxymethyl)pyrimidin-4(3H)-one 2-[(3-chloro-4-methylphenyl)amin…

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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) 3.24 6.51 -11.46 2 5 0 67 279.727 4 ↓
Hi High (pH 8-9.5) 3.70 4.96 -47.33 1 5 -1 70 278.719 4 ↓

Analogs

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Popular Name: 2-(4-Bromo-phenylamino)-6-methoxymethyl-pyrimidin-4-ol 2-(4-Bromo-phenylamino)-6-methox…

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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) 2.99 6.02 -10.67 2 5 0 67 310.151 4 ↓
Hi High (pH 8-9.5) 3.45 4.38 -48.33 1 5 -1 70 309.143 4 ↓

Analogs

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Popular Name: 4-(4-Hydroxy-6-methoxymethyl-pyrimidin-2-ylamino)-benzonitrile 4-(4-Hydroxy-6-methoxymethyl-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) 1.94 5.79 -13.86 2 6 0 91 256.265 4 ↓
Hi High (pH 8-9.5) 2.40 4.27 -48.69 1 6 -1 94 255.257 4 ↓

Analogs

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Popular Name: 4-(4-Ethyl-6-hydroxy-pyrimidin-2-ylamino)-benzonitrile 4-(4-Ethyl-6-hydroxy-pyrimidin-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) 2.54 7.5 -13.18 2 5 0 82 240.266 3 ↓

Analogs

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Popular Name: 4-(4-Hydroxy-6-isopropyl-pyrimidin-2-ylamino)-benzonitrile 4-(4-Hydroxy-6-isopropyl-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) 3.02 8.2 -12.94 2 5 0 82 254.293 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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