UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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: 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

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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: 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: 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-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: 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 ↓

Analogs

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

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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 10.05 -37.68 0 5 -1 61 378.477 3 ↓
Mid Mid (pH 6-8) 2.34 11.33 -14.23 1 5 0 58 379.485 3 ↓

Analogs

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

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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 10.08 -43.07 0 5 -1 61 378.477 3 ↓
Mid Mid (pH 6-8) 2.34 11.37 -14.2 1 5 0 58 379.485 3 ↓

Analogs

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Popular Name: N-cyclopropyl-3-ethyl-4-oxo-2-sulfanyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazoline-7-carb N-cyclopropyl-3-ethyl-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) 4.01 11.51 -43.33 0 5 -1 61 460.501 6 ↓
Mid Mid (pH 6-8) 3.55 12.78 -14.53 1 5 0 58 461.509 6 ↓

Analogs

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Popular Name: N-cyclopropyl-3-ethyl-4-oxo-2-sulfanyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazoline-7-carb N-cyclopropyl-3-ethyl-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) 4.01 11.17 -41.84 0 5 -1 61 460.501 6 ↓
Mid Mid (pH 6-8) 3.55 12.45 -12.31 1 5 0 58 461.509 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.10 9.37 -41.13 0 7 -1 87 404.512 8 ↓
Mid Mid (pH 6-8) 1.64 10.66 -17.13 1 7 0 84 405.52 8 ↓

Analogs

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Popular Name: N-[2-(4-ethyl-5-methyl-thiazol-2-yl)ethyl]-3-methyl-4-oxo-2-sulfanyl-quinazoline-7-carboxamide N-[2-(4-ethyl-5-methyl-thiazol-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) 2.15 6.04 -45.81 1 6 -1 83 387.51 5 ↓
Mid Mid (pH 6-8) 1.69 7.3 -17.51 2 6 0 80 388.518 5 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-(6-quinolyl)-2-sulfanyl-quinazoline-7-carboxamide 3-methyl-4-oxo-N-(6-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) 2.34 6.3 -45.73 1 6 -1 83 361.406 2 ↓
Mid Mid (pH 6-8) 1.89 7.55 -18.5 2 6 0 80 362.414 2 ↓

Analogs

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Popular Name: 3-methyl-N-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-4-oxo-2-sulfanyl-quinazoline-7-carboxamide 3-methyl-N-[(2R)-2-methyl-3-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) 1.49 5.64 -43.85 1 7 -1 88 356.431 5 ↓
Mid Mid (pH 6-8) 1.03 6.9 -15.92 2 7 0 85 357.439 5 ↓

Analogs

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Popular Name: 7-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]-2-sulfanyl-3H-quinazolin-4-one 7-[(2R)-2-[(1R)-1-phenylpropyl]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) 3.71 8.29 -45.29 1 5 -1 72 392.504 4 ↓
Mid Mid (pH 6-8) 3.25 9.67 -14.26 2 5 0 69 393.512 4 ↓

Analogs

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Popular Name: N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(1-methyl-3,4-dihydro-2H-quin…

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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 6.01 -41.02 2 6 -1 84 379.465 3 ↓
Mid Mid (pH 6-8) 2.13 7.34 -13.7 3 6 0 81 380.473 3 ↓
Lo Low (pH 4.5-6) 2.13 7.96 -49.06 4 6 1 82 381.481 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-3-ethyl-4-oxo-N-propyl-2-sulfanyl-quinazoline-7-carboxamide N-(cyanomethyl)-3-ethyl-4-oxo-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) 1.48 7.07 -40.54 0 6 -1 85 329.405 5 ↓
Mid Mid (pH 6-8) 1.02 8.35 -15.24 1 6 0 82 330.413 5 ↓

Analogs

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Popular Name: 3-ethyl-7-(4-isopentylpiperazine-1-carbonyl)-2-sulfanyl-quinazolin-4-one 3-ethyl-7-(4-isopentylpiperazine…

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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) 2.36 9.36 -60.63 1 6 0 66 388.537 5 ↓
Mid Mid (pH 6-8) 1.90 10.62 -56.03 2 6 1 63 389.545 5 ↓
Mid Mid (pH 6-8) 2.36 7.13 -34.81 0 6 -1 64 387.529 5 ↓

Analogs

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Popular Name: 3-ethyl-N-methyl-4-oxo-N-(1-propyl-4-piperidyl)-2-sulfanyl-quinazoline-7-carboxamide 3-ethyl-N-methyl-4-oxo-N-(1-prop…

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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) 2.11 9.4 -68.98 1 6 0 66 388.537 5 ↓
Mid Mid (pH 6-8) 1.66 10.66 -50.29 2 6 1 63 389.545 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(2S)-2-(4-chlorophenyl)-2-hyd…

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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) 2.09 2.5 -42.32 3 6 -1 101 374.829 4 ↓
Mid Mid (pH 6-8) 1.63 3.83 -16.05 4 6 0 98 375.837 4 ↓

Analogs

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Popular Name: N-(1-naphthylmethyl)-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-(1-naphthylmethyl)-4-oxo-2-sul…

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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) 3.16 6.48 -40.68 2 5 -1 81 360.418 3 ↓
Mid Mid (pH 6-8) 2.70 7.8 -13.52 3 5 0 78 361.426 3 ↓

Analogs

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Popular Name: 4-oxo-2-sulfanyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-3H-quinazoline-7-carboxamide 4-oxo-2-sulfanyl-N-[(1R)-1-[(2S)…

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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) 1.30 2.46 -40.03 2 6 -1 90 318.378 3 ↓
Ref Reference (pH 7) 1.57 3.45 -41.26 2 6 -1 84 318.378 3 ↓
Mid Mid (pH 6-8) 0.84 3.78 -12.35 3 6 0 87 319.386 3 ↓

Analogs

2787685
2787685

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Popular Name: 3-[[(2S)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-2-thioxo-quinazolin-4-olate 3-[[(2S)-2-methyl-3-(4-nitropyra…

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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) 1.28 6.43 -45.94 1 10 -1 134 373.374 5 ↓
Mid Mid (pH 6-8) 0.83 7.79 -23.29 2 10 0 131 374.382 5 ↓

Analogs

2791807
2791807
2787684
2787684

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Popular Name: 3-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]-2-thioxo-quinazolin-4-olate 3-[[(2R)-2-methyl-3-(4-nitropyra…

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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) 1.28 6.47 -46.15 1 10 -1 134 373.374 5 ↓
Mid Mid (pH 6-8) 0.83 7.85 -22.97 2 10 0 131 374.382 5 ↓

Parameters Provided:

ring.id = 11255
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 = 11255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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