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4193899
4193899

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Popular Name: N-(2,5-dimethoxyphenyl)-4-keto-3H-phthalazine-1-carboxamide N-(2,5-dimethoxyphenyl)-4-keto-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) 2.35 -3.91 -13.24 2 7 0 93 325.324 4 ↓

Analogs

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Popular Name: 4-keto-N-(3-pyridylmethyl)-3H-phthalazine-1-carboxamide 4-keto-N-(3-pyridylmethyl)-3H-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) 0.78 -4.2 -9.94 2 6 0 87 280.287 3 ↓
Lo Low (pH 4.5-6) 1.23 -3.52 -42.59 3 6 1 89 281.295 3 ↓

Analogs

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Popular Name: N-benzyl-4-keto-N-methyl-3H-phthalazine-1-carboxamide N-benzyl-4-keto-N-methyl-3H-phth…

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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) 2.26 -1.31 -9.61 1 5 0 66 293.326 3 ↓

Analogs

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Popular Name: 6-(4-keto-3H-phthalazin-1-yl)-4-methyl-1,4-benzoxazin-3-one 6-(4-keto-3H-phthalazin-1-yl)-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) 2.12 -2 -14.68 1 6 0 75 307.309 1 ↓

Analogs

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Popular Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one 4-(1,3-benzothiazol-2-ylmethyl)-…

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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) 3.55 -3.29 -17.36 1 4 0 58 293.351 2 ↓

Analogs

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Popular Name: 4-(1H-benzimidazol-2-ylmethyl)-2H-phthalazin-1-one 4-(1H-benzimidazol-2-ylmethyl)-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) 2.98 -3.45 -20.59 2 5 0 74 276.299 2 ↓

Analogs

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Popular Name: 4-(4-ethylbenzyl)-2H-phthalazin-1-one 4-(4-ethylbenzyl)-2H-phthalazin-…

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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) 4.30 -0.6 -12.08 1 3 0 45 264.328 3 ↓

Analogs

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Popular Name: 4-(1H-indol-3-ylmethyl)-2H-phthalazin-1-one 4-(1H-indol-3-ylmethyl)-2H-phtha…

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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) 3.53 -2.12 -14.86 2 4 0 61 275.311 2 ↓

Analogs

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Popular Name: 4-[4-methyl-3-(4-methylpiperidino)sulfonyl-phenyl]-2H-phthalazin-1-one 4-[4-methyl-3-(4-methylpiperidin…

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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) 3.69 -5.21 -12.59 1 6 0 83 397.5 3 ↓

Analogs

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Popular Name: 5-(4-keto-3H-phthalazin-1-yl)-N-(4-methoxyphenyl)-2-methyl-benzenesulfonamide 5-(4-keto-3H-phthalazin-1-yl)-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) 4.05 -5.54 -19.58 2 7 0 101 421.478 5 ↓
Hi High (pH 8-9.5) 4.05 -5 -49.76 1 7 -1 103 420.47 5 ↓

Analogs

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Popular Name: 4-[(2,4-difluoroanilino)methyl]-1(2H)-phthalazinone 4-[(2,4-difluoroanilino)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) 2.93 -1.62 -15.63 2 4 0 57 287.269 3 ↓

Analogs

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Popular Name: 4-[(4-phenoxyanilino)methyl]-1(2H)-phthalazinone 4-[(4-phenoxyanilino)methyl]-1(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) 4.43 -2.5 -14.29 2 5 0 67 343.386 5 ↓

Analogs

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Popular Name: 4-{[5-(2,4-dichlorophenyl)-2-furyl]methyl}-1(2H)-phthalazinone 4-{[5-(2,4-dichlorophenyl)-2-fur…

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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) 5.84 -0.71 -14.68 1 4 0 58 371.223 3 ↓

Analogs

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Popular Name: 4-(2,3-dihydro-1H-inden-5-yl)-1(2H)-phthalazinone 4-(2,3-dihydro-1H-inden-5-yl)-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) 3.27 -1.43 -9.61 1 3 0 45 262.312 1 ↓

Analogs

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Popular Name: 4-[(6-methyl-2-pyridyl)methyl]-2H-phthalazin-1-one 4-[(6-methyl-2-pyridyl)methyl]-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) 2.26 -1.17 -20.03 1 4 0 58 251.289 2 ↓
Lo Low (pH 4.5-6) 2.26 -1.62 -40.94 2 4 1 59 252.297 2 ↓

Analogs

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Popular Name: 5-(4-keto-3H-phthalazin-1-yl)-2-methyl-N-(o-tolyl)benzenesulfonamide 5-(4-keto-3H-phthalazin-1-yl)-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) 4.40 -5.02 -14.46 2 6 0 91 405.479 4 ↓
Hi High (pH 8-9.5) 4.85 -4.08 -52.86 1 6 -1 94 404.471 4 ↓

Analogs

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Popular Name: N-cyclohexyl-5-(4-keto-3H-phthalazin-1-yl)-N,2-dimethyl-benzenesulfonamide N-cyclohexyl-5-(4-keto-3H-phthal…

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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) 4.45 -4.85 -14.93 1 6 0 83 411.527 4 ↓

Analogs

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Popular Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-3H-phthalazine-1-carboxamide 4-keto-N-(6-methoxy-1,3-benzothi…

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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) 2.90 -5.41 -14.72 2 7 0 96 352.375 3 ↓

Analogs

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Popular Name: 4-keto-N-(2-methyl-1,3-benzothiazol-6-yl)-3H-phthalazine-1-carboxamide 4-keto-N-(2-methyl-1,3-benzothia…

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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) 2.44 -4.29 -12.71 2 6 0 87 336.376 2 ↓

Analogs

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Popular Name: N-indan-5-yl-4-keto-3H-phthalazine-1-carboxamide N-indan-5-yl-4-keto-3H-phthalazi…

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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) 2.73 -2.73 -9.15 2 5 0 74 305.337 2 ↓

Analogs

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Popular Name: 4-keto-N-p-anisyl-3H-phthalazine-1-carboxamide 4-keto-N-p-anisyl-3H-phthalazine…

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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 3.78 -9.35 2 6 0 84 309.325 4 ↓
Mid Mid (pH 6-8) 2.53 2 -46.29 1 6 -1 87 308.317 4 ↓

Analogs

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Popular Name: N-(2-chlorobenzyl)-4-keto-3H-phthalazine-1-carboxamide N-(2-chlorobenzyl)-4-keto-3H-pht…

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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) 2.64 -3.58 -8.76 2 5 0 74 313.744 3 ↓

Analogs

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Popular Name: (2S)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-phenyl-propionic-acid-methyl-ester (2S)-2-[(4-keto-3H-phthalazine-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) 2.27 -1.36 -12.58 2 7 0 101 351.362 6 ↓

Analogs

8125578
8125578
8280138
8280138

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Popular Name: N-(4-tert-butylphenyl)-4-keto-3H-phthalazine-1-carboxamide N-(4-tert-butylphenyl)-4-keto-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) 4.02 -1.44 -8.21 2 5 0 74 321.38 3 ↓

Analogs

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Popular Name: 4-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)-2H-phthalazin-1-one 4-(4H-[1,2,4]triazolo[3,4-c][1,4…

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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) 2.50 -2.12 -12.82 1 6 0 76 333.376 1 ↓

Analogs

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Popular Name: 2-methyl-1-(6-quinolyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(6-quinolyl)-6,7-dihy…

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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 9.8 -12.01 0 3 0 35 276.339 1 ↓

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Popular Name: 3-(4-fluorobenzyl)-1-methyl-quinoxalin-2-one 3-(4-fluorobenzyl)-1-methyl-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) 3.61 1.51 -8.77 0 3 0 34 268.291 2 ↓

Analogs

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Popular Name: 3-(3,4-difluorobenzyl)-1-methyl-quinoxalin-2-one 3-(3,4-difluorobenzyl)-1-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) 3.70 2.33 -10.07 0 3 0 34 286.281 2 ↓

Analogs

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Popular Name: 3-benzoyl-7H-imidazo[1,5-a]pyrazin-8-one 3-benzoyl-7H-imidazo[1,5-a]pyraz…

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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) 1.21 5.99 -11.79 1 5 0 67 239.234 2 ↓
Mid Mid (pH 6-8) 1.67 3.92 -42.13 0 5 -1 70 238.226 2 ↓

Analogs

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Popular Name: 3-(4-fluorobenzoyl)-7H-imidazo[1,5-a]pyrazin-8-one 3-(4-fluorobenzoyl)-7H-imidazo[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) 1.37 6.06 -10.78 1 5 0 67 257.224 2 ↓
Mid Mid (pH 6-8) 1.83 3.99 -39.09 0 5 -1 70 256.216 2 ↓

Analogs

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Popular Name: 10-benzoyl-1H-pyrimido[5,6-a]indolizine-2,4-dione 10-benzoyl-1H-pyrimido[5,6-a]ind…

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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 5.7 -14.15 2 6 0 87 305.293 2 ↓
Mid Mid (pH 6-8) 2.78 4.57 -53.63 1 6 -1 90 304.285 2 ↓

Analogs

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Popular Name: 3-(pyridine-4-carbonyl)-7H-imidazo[1,5-a]pyrazin-8-one 3-(pyridine-4-carbonyl)-7H-imida…

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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) -0.08 4.21 -11.98 1 6 0 80 240.222 2 ↓
Mid Mid (pH 6-8) 0.38 2.15 -39.74 0 6 -1 83 239.214 2 ↓

Analogs

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Popular Name: 3-(2-fluorobenzyl)-1-methyl-quinoxalin-2-one 3-(2-fluorobenzyl)-1-methyl-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) 3.56 1.48 -10.72 0 3 0 34 268.291 2 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methyl]-1H-quinoxalin-2-one 3-[(4-chlorophenyl)methyl]-1H-qu…

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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) 3.61 6.81 -7.65 1 3 0 46 270.719 2 ↓

Analogs

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Popular Name: 2-amino-3-benzoylindolizine-1-carbonitrile 2-amino-3-benzoylindolizine-1-ca…

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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) 2.82 7.67 -10.9 2 4 0 71 261.284 2 ↓

Analogs

4585196
4585196

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Popular Name: 2-amino-3-(4-tert-butylbenzoyl)-indolizine-1-carbonitrile 2-amino-3-(4-tert-butylbenzoyl)-…

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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) 4.52 2.84 -9.94 2 4 0 71 317.392 3 ↓

Analogs

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Popular Name: 3-(2-fluorobenzoyl)-7H-imidazo[1,5-a]pyrazin-8-one 3-(2-fluorobenzoyl)-7H-imidazo[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) 1.33 6.07 -13.68 1 5 0 67 257.224 2 ↓
Mid Mid (pH 6-8) 1.78 4 -44.05 0 5 -1 70 256.216 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-phenylethyl]-7H-imidazo[1,5-a]pyrazin-8-one 3-[(1S)-1-phenylethyl]-7H-imidaz…

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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) 1.70 6.76 -14.27 1 4 0 50 239.278 2 ↓
Lo Low (pH 4.5-6) 1.70 7.2 -33.94 2 4 1 51 240.286 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-phenylethyl]-7H-imidazo[1,5-a]pyrazin-8-one 3-[(1R)-1-phenylethyl]-7H-imidaz…

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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) 1.70 6.76 -14.29 1 4 0 50 239.278 2 ↓
Lo Low (pH 4.5-6) 1.70 7.29 -33.89 2 4 1 51 240.286 2 ↓

Analogs

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Popular Name: 1-methyl-3-[(4-propoxyphenyl)methyl]quinoxalin-2-one 1-methyl-3-[(4-propoxyphenyl)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) 4.38 9.07 -9.85 0 4 0 44 308.381 5 ↓

Analogs

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Popular Name: 1-(3-benzoyl-2-methyl-indolizin-1-yl)ethanone 1-(3-benzoyl-2-methyl-indolizin-…

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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 10.29 -14.84 0 3 0 39 277.323 3 ↓

Analogs

632561
632561

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Popular Name: (2,5-dimethylphenyl)carbamoylmethyl (2,5-dimethylphenyl)carbamoylmethyl

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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) 5.03 12.38 -12.87 0 3 0 39 327.383 3 ↓

Analogs

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Popular Name: 5-[(1R)-2-amino-1-(2-pyridyl)ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1R)-2-amino-1-(2-pyridyl)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) 0.25 1.43 -58.8 5 5 1 89 255.301 3 ↓
Hi High (pH 8-9.5) 0.25 1.09 -10.96 4 5 0 88 254.293 3 ↓

Analogs

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Popular Name: 3-[(S)-hydroxy(phenyl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one 3-[(S)-hydroxy(phenyl)methyl]-7H…

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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 2.98 -14.71 2 5 0 70 241.25 2 ↓
Lo Low (pH 4.5-6) 0.68 3.63 -38.31 3 5 1 72 242.258 2 ↓

Analogs

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Popular Name: N-indan-5-yl-2-(3-methyl-2-oxo-quinoxalin-1-yl)acetamide N-indan-5-yl-2-(3-methyl-2-oxo-q…

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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 8.44 -18.27 1 5 0 64 333.391 3 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-1,6-dimethyl-7-oxo-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(4-bromophenyl)methyl]-1,6-di…

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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) 3.13 7.59 -15.29 1 5 0 56 374.238 3 ↓

Analogs

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Popular Name: 1-methyl-2-(1-phenylvinyl)pyrrolo[3,2-c]pyridin-4-ol 1-methyl-2-(1-phenylvinyl)pyrrol…

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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) 2.77 7.81 -17.42 1 3 0 38 250.301 2 ↓