UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 0.84 -1 -183.01 3 10 -3 173 431.431 5 ↓
Mid Mid (pH 6-8) 0.39 0.35 -86.04 4 10 -2 170 432.439 5 ↓

Analogs

8486621
8486621
8236337
8236337
8236370
8236370

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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) 1.97 8.64 -26.59 4 7 0 110 382.445 3 ↓
Mid Mid (pH 6-8) 2.70 8.32 -53.74 3 7 -1 107 381.437 3 ↓

Analogs

8486617
8486617
8236337
8236337
8236370
8236370

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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) 1.97 8.61 -26.44 4 7 0 110 382.445 3 ↓
Mid Mid (pH 6-8) 2.70 8.29 -53.79 3 7 -1 107 381.437 3 ↓

Analogs

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Popular Name: 3-methyl-7-[(2R)-2-phenylpyrrolidine-1-carbonyl]-2-sulfanyl-quinazolin-4-one 3-methyl-7-[(2R)-2-phenylpyrroli…

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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 9.01 -37.43 0 5 -1 61 364.45 2 ↓
Mid Mid (pH 6-8) 1.97 10.29 -14.64 1 5 0 58 365.458 2 ↓

Analogs

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Popular Name: 3-methyl-7-[(2S)-2-phenylpyrrolidine-1-carbonyl]-2-sulfanyl-quinazolin-4-one 3-methyl-7-[(2S)-2-phenylpyrroli…

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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 9.05 -42.79 0 5 -1 61 364.45 2 ↓
Mid Mid (pH 6-8) 1.97 10.32 -14.53 1 5 0 58 365.458 2 ↓

Analogs

34876139
34876139

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Popular Name: 3-(4-methoxybenzyl)-4-oxo-2-sulfanyl-3,4-dihydro-7-quinazolinecarboxylic acid 3-(4-methoxybenzyl)-4-oxo-2-sulf…

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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) 3.03 7.62 -90.45 0 6 -2 90 340.36 4 ↓

Analogs

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Popular Name: 4,6-diamino-5-nitro-pyrimidine-2-thiol 4,6-diamino-5-nitro-pyrimidine-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) -0.68 1.27 -14.31 5 7 0 127 187.184 1 ↓

Analogs

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Popular Name: 2-[2-hydroxyethyl-(6-methyl-2-sulfanyl-pyrimidin-4-yl)amino]ethanol 2-[2-hydroxyethyl-(6-methyl-2-su…

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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) -0.60 0.28 -23.04 3 5 0 72 229.305 5 ↓
Hi High (pH 8-9.5) 0.13 0.2 -60.69 2 5 -1 69 228.297 5 ↓

Analogs

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Popular Name: 3-(2-chlorobenzyl)-2-mercapto-4-oxo-3,4-dihydroquinazoline-7-carboxylic acid 3-(2-chlorobenzyl)-2-mercapto-4-…

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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) 3.88 9.52 -91.71 0 5 -2 75 344.779 3 ↓
Ref Reference (pH 7) 3.61 8.46 -91.45 0 5 -2 81 344.779 3 ↓
Mid Mid (pH 6-8) 3.15 9.81 -40.62 1 5 -1 78 345.787 3 ↓

Analogs

12341266
12341266

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Popular Name: 4-hydroxy-2-mercapto-6-phenylpyrimidine-5-carbonitrile 4-hydroxy-2-mercapto-6-phenylpyr…

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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) 1.48 3.68 -32.53 1 4 -1 76 228.256 1 ↓

Analogs

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Popular Name: (5S)-7-phenyl-2-sulfanyl-5H-pyrano[3,2-e]pyrimidine-4,5-diol (5S)-7-phenyl-2-sulfanyl-5H-pyra…

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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) 1.12 0.82 -37.85 2 5 -1 81 273.293 1 ↓
Mid Mid (pH 6-8) 0.67 1.88 -11.14 3 5 0 78 274.301 1 ↓

Analogs

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Popular Name: N-cyclopentyl-N,3-dimethyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-cyclopentyl-N,3-dimethyl-4-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) 1.84 6.53 -35.57 0 5 -1 61 316.406 2 ↓
Mid Mid (pH 6-8) 1.38 7.81 -12.65 1 5 0 58 317.414 2 ↓

Analogs

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Popular Name: 7-methylpurine-2,6-dithiol 7-methylpurine-2,6-dithiol

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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) 0.39 5.22 -38.67 1 4 -1 47 197.268 0 ↓

Analogs

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Popular Name: 5-[[2-(1-piperidyl)ethylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[2-(1-piperidyl)ethylamino]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) -0.25 4.05 -52.97 4 6 1 82 283.377 4 ↓
Hi High (pH 8-9.5) -0.25 1.78 -10.2 3 6 0 81 282.369 4 ↓

Analogs

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Popular Name: 4-ethoxy-6-(4-methoxyphenyl)pyrimidine-2-thiol 4-ethoxy-6-(4-methoxyphenyl)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) 2.50 4.93 -16.31 1 4 0 47 262.334 4 ↓
Hi High (pH 8-9.5) 3.23 4.67 -48.32 0 4 -1 44 261.326 4 ↓

Analogs

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Popular Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6-iodo-2-sulfanyl-quinazolin-4-one 3-(2,3-dihydro-1,4-benzodioxine-…

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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) 3.54 7.5 -42.78 0 6 -1 76 465.248 1 ↓
Lo Low (pH 4.5-6) 3.08 8.68 -19.31 1 6 0 73 466.256 1 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxole-5-carbonyl)-6-iodo-2-sulfanyl-quinazolin-4-one 3-(1,3-benzodioxole-5-carbonyl)-…

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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) 3.92 7.01 -39.93 0 6 -1 76 451.221 1 ↓
Lo Low (pH 4.5-6) 3.46 8.17 -18.28 1 6 0 73 452.229 1 ↓

Analogs

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Popular Name: 6-(4-fluorophenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-pyr 6-(4-fluorophenyl)-1-methyl-5-(1…

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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) 2.60 10 -57.58 2 8 -1 99 479.542 3 ↓
Hi High (pH 8-9.5) 2.38 8.7 -69.25 1 8 -1 98 479.542 3 ↓
Mid Mid (pH 6-8) 1.93 10.71 -33.04 2 8 0 95 480.55 3 ↓

Analogs

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Popular Name: 1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-6-(p-tolyl)-2-thioxo-7H-pyrrolo[3, 1-methyl-5-(1-methyl-4-oxo-6-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) 2.88 10.8 -59.02 2 8 -1 99 475.579 3 ↓
Mid Mid (pH 6-8) 2.67 9.34 -69.99 1 8 -1 98 475.579 3 ↓
Mid Mid (pH 6-8) 2.48 11.12 -53.92 2 8 0 92 476.587 3 ↓

Analogs

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Popular Name: 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-pyr 6-(4-chlorophenyl)-1-methyl-5-(1…

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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) 3.11 10.45 -57.11 2 8 -1 99 495.997 3 ↓
Hi High (pH 8-9.5) 2.90 9.16 -68.73 1 8 -1 98 495.997 3 ↓
Mid Mid (pH 6-8) 2.44 11.16 -32.45 2 8 0 95 497.005 3 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-1-methyl-5-(1-methyl-4-oxo-6-pyrrol-1-yl-2-thioxo-pyrimidin-5-yl)-2-thioxo-7H-py 6-(4-methoxyphenyl)-1-methyl-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) 2.49 9.22 -59.66 2 9 -1 109 491.578 4 ↓
Ref Reference (pH 7) 1.82 9.94 -32.4 2 9 0 105 492.586 4 ↓
Hi High (pH 8-9.5) 2.28 7.52 -105.27 0 9 -2 106 490.57 4 ↓

Analogs

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Popular Name: N-indan-5-yl-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-indan-5-yl-3-methyl-4-oxo-2-su…

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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) 2.78 7.83 -41.96 1 5 -1 70 350.423 2 ↓
Mid Mid (pH 6-8) 2.32 9.07 -13.93 2 5 0 67 351.431 2 ↓

Analogs

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Popular Name: 3-(4-dimethylaminophenyl)-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-(4-dimethylaminophenyl)-2-sulf…

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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 6.71 -49.94 0 4 -1 44 302.404 2 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-(2-quinolyl)-2-sulfanyl-quinazoline-7-carboxamide 3-methyl-4-oxo-N-(2-quinolyl)-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) 2.71 7.75 -51.12 1 6 -1 83 361.406 2 ↓
Mid Mid (pH 6-8) 2.25 9 -21.06 2 6 0 80 362.414 2 ↓

Analogs

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Popular Name: 3-methyl-N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxa 3-methyl-N-[(2S)-2-(4-methyl-1-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) 3.33 10.53 -76.88 2 6 0 74 442.61 5 ↓
Mid Mid (pH 6-8) 2.87 10.95 -64.3 3 6 1 71 443.618 5 ↓
Mid Mid (pH 6-8) 3.33 8.45 -43.91 1 6 -1 73 441.602 5 ↓

Analogs

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Popular Name: 3-methyl-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxa 3-methyl-N-[(2R)-2-(4-methyl-1-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) 3.33 10.48 -76.41 2 6 0 74 442.61 5 ↓
Mid Mid (pH 6-8) 2.87 10.9 -63.74 3 6 1 71 443.618 5 ↓
Mid Mid (pH 6-8) 3.33 8.42 -44.34 1 6 -1 73 441.602 5 ↓

Analogs

31982968
31982968
31982973
31982973

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[(2S)-2-dimethylamino-2-(4-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) 3.19 10.37 -78.07 2 6 0 74 410.543 6 ↓
Hi High (pH 8-9.5) 3.19 8.04 -44.14 1 6 -1 73 409.535 6 ↓
Mid Mid (pH 6-8) 2.73 10.79 -64.46 3 6 1 71 411.551 6 ↓

Analogs

31982968
31982968
31982973
31982973

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[(2R)-2-dimethylamino-2-(4-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) 3.19 11.07 -76.2 2 6 0 74 410.543 6 ↓
Hi High (pH 8-9.5) 3.19 8.82 -43.62 1 6 -1 73 409.535 6 ↓
Mid Mid (pH 6-8) 2.73 11.49 -62.05 3 6 1 71 411.551 6 ↓

Analogs

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Popular Name: 3-methyl-6-thioxo-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one 3-methyl-6-thioxo-7H-[1,2,4]tria…

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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) 1.13 4.9 -16.43 1 5 0 63 244.279 0 ↓

Analogs

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Popular Name: 3-(p-tolyl)-6-thioxo-7H-[1,2,4]triazino[2,3-c]quinazolin-2-one 3-(p-tolyl)-6-thioxo-7H-[1,2,4]t…

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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) 3.03 8.6 -17.5 1 5 0 63 320.377 1 ↓

Analogs

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Popular Name: 1-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrimidine-2-thione 1-[[4-[2-nitro-4-(trifluoromethy…

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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) 2.13 9.27 -28.31 0 7 0 70 399.398 5 ↓

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[(2R)-2-diethylamino-2-(3-meth…

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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) 3.06 9.59 -74.24 2 7 0 84 440.569 8 ↓
Mid Mid (pH 6-8) 2.61 10.01 -61.05 3 7 1 81 441.577 8 ↓

Analogs

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Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[(2S)-2-diethylamino-2-(3-meth…

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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) 3.06 9.58 -72.31 2 7 0 84 440.569 8 ↓
Mid Mid (pH 6-8) 2.61 10 -59.34 3 7 1 81 441.577 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxam N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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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) 1.77 5.78 -47.43 1 9 -1 101 483.57 7 ↓
Mid Mid (pH 6-8) 1.31 6.2 -20.5 2 9 0 98 484.578 7 ↓
Lo Low (pH 4.5-6) 1.31 8.17 -64.37 3 9 1 99 485.586 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxam N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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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) 1.77 5.84 -48.38 1 9 -1 101 483.57 7 ↓
Ref Reference (pH 7) 2.04 5.7 -46.23 1 9 -1 95 483.57 7 ↓
Mid Mid (pH 6-8) 1.31 6.26 -21.1 2 9 0 98 484.578 7 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanyl-quinazoline-7-carboxamide 3-methyl-4-oxo-N-spiro[1,3-benzo…

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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) 4.23 9.26 -51.2 1 7 -1 88 422.486 2 ↓
Mid Mid (pH 6-8) 3.77 9.67 -22.6 2 7 0 85 423.494 2 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-(2-methoxyphenyl)-3-methyl-4-o…

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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 6.47 -44.54 1 6 -1 79 340.384 3 ↓
Mid Mid (pH 6-8) 1.91 6.89 -16.06 2 6 0 76 341.392 3 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 2.43 7.74 -51.7 1 7 -1 96 374.471 5 ↓
Hi High (pH 8-9.5) 2.50 6.84 -91.08 0 7 -2 102 373.463 5 ↓
Mid Mid (pH 6-8) 1.97 8.16 -23.94 2 7 0 93 375.479 5 ↓

Analogs

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Popular Name: N-[3-[(2-fluorophenyl)sulfamoyl]-4-methyl-phenyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamid N-[3-[(2-fluorophenyl)sulfamoyl]…

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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) 3.62 7.94 -54.21 2 8 -1 116 497.553 5 ↓
Mid Mid (pH 6-8) 3.16 8.36 -25.7 3 8 0 113 498.561 5 ↓
Mid Mid (pH 6-8) 3.62 8.01 -103.52 1 8 -2 118 496.545 5 ↓

Analogs

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Popular Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-prop-2-ynyl-2-thioxo-1H-quinazoline-7-carboxamide 3-[(2-chlorophenyl)methyl]-4-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) 3.05 7.44 -41.81 1 5 -1 70 382.852 4 ↓
Lo Low (pH 4.5-6) 2.59 8.86 -11.48 2 5 0 67 383.86 4 ↓

Analogs

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Popular Name: N-[5-carbamoyl-2-(1-piperidyl)phenyl]-3-ethyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[5-carbamoyl-2-(1-piperidyl)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) 2.50 6.5 -57.2 3 8 -1 116 450.544 5 ↓
Ref Reference (pH 7) 2.77 7.89 -52.7 3 8 -1 110 450.544 5 ↓
Mid Mid (pH 6-8) 2.04 6.92 -24.76 4 8 0 113 451.552 5 ↓

Analogs

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Popular Name: 3-ethyl-N-(3-ethynylphenyl)-4-oxo-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-N-(3-ethynylphenyl)-4-ox…

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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 9.08 -50.35 1 5 -1 70 348.407 3 ↓
Mid Mid (pH 6-8) 2.02 9.5 -21.06 2 5 0 67 349.415 3 ↓

Analogs

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Popular Name: N-benzyl-3-ethyl-4-oxo-N-phenethyl-2-sulfanyl-quinazoline-7-carboxamide N-benzyl-3-ethyl-4-oxo-N-pheneth…

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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) 4.02 14.25 -44.22 0 5 -1 61 442.564 7 ↓
Mid Mid (pH 6-8) 3.56 14.67 -14.59 1 5 0 58 443.572 7 ↓

Analogs

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Popular Name: 3-ethyl-4-oxo-N-[4-(phenylcarbamoylamino)phenyl]-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-4-oxo-N-[4-(phenylcarbam…

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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) 3.94 9.09 -54.56 3 8 -1 111 458.523 5 ↓
Mid Mid (pH 6-8) 3.49 9.51 -26.01 4 8 0 108 459.531 5 ↓

Analogs

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Popular Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-ethyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[4-(4,6-dimethylpyrimidin-2-yl…

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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) 3.93 10.75 -50.48 1 7 -1 96 462.58 5 ↓
Mid Mid (pH 6-8) 3.47 11.17 -22.87 2 7 0 93 463.588 5 ↓

Analogs

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Popular Name: 3-ethyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-4-oxo-N-[3-[(1S)-1-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) 3.25 9.65 -46.05 1 6 -1 79 410.519 8 ↓
Mid Mid (pH 6-8) 2.80 10.07 -17.38 2 6 0 76 411.527 8 ↓

Analogs

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Popular Name: 3-ethyl-4-oxo-N-[3-[(1R)-1-phenylethoxy]propyl]-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-4-oxo-N-[3-[(1R)-1-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) 3.25 9.63 -46.03 1 6 -1 79 410.519 8 ↓
Mid Mid (pH 6-8) 2.80 10.04 -17.38 2 6 0 76 411.527 8 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 2.80 7.66 -47.21 1 7 -1 96 388.498 6 ↓
Mid Mid (pH 6-8) 2.35 8.93 -19.46 2 7 0 93 389.506 6 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-3-ethyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-(cyclobutylmethyl)-3-ethyl-4-o…

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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 6.12 -41.01 1 5 -1 70 316.406 4 ↓
Mid Mid (pH 6-8) 1.63 7.39 -12.21 2 5 0 67 317.414 4 ↓

Analogs

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Popular Name: ethyl 2-{2,4-dichloro-5-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]phenoxy}acetate ethyl 2-{2,4-dichloro-5-[4-oxo-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) 4.70 10.46 -42.41 0 6 -1 76 424.285 6 ↓
Mid Mid (pH 6-8) 4.24 11.75 -16.89 1 6 0 73 425.293 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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