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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37783223
37783223

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[2-(difluoromethoxy)phenyl]amino]methyl]-2-methoxy-phenol 5-[[[2-(difluoromethoxy)phenyl]a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 3.93 -11.83 2 4 0 51 295.285 6 ↓

Analogs

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Popular Name: (2S)-2-(1,1-dimethylpropylamino)-N-ethyl-propanamide (2S)-2-(1,1-dimethylpropylamino)…

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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) 1.60 2.69 -33.66 3 3 1 46 187.307 5 ↓
Hi High (pH 8-9.5) 1.60 1.63 -9.55 2 3 0 41 186.299 5 ↓

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-[2-(trifluoromethyl)phenyl]methanol (R)-(1-methylimidazol-2-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) 1.87 5.07 -30.24 2 3 1 39 257.235 3 ↓
Mid Mid (pH 6-8) 1.87 4.5 -7.56 1 3 0 38 256.227 3 ↓

Analogs

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Popular Name: 2-(4-chloro-2-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-(4-chloro-2-fluoro-phenyl)-5,6…

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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) 4.39 8.27 -8.83 2 3 0 52 307.781 1 ↓

Analogs

37993540
37993540
44612700
44612700
44612703
44612703

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]propanoic (2S)-2-[[2-(2-chloro-6-fluoro-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) 0.09 4.68 -46.58 1 4 -1 69 258.656 4 ↓

Analogs

37993540
37993540
44612700
44612700
44612703
44612703

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]propanoic (2R)-2-[[2-(2-chloro-6-fluoro-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) 0.09 4.68 -46.58 1 4 -1 69 258.656 4 ↓

Analogs

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Popular Name: (4-chloro-2-fluoro-phenyl)BLAHamine (4-chloro-2-fluoro-phenyl)BLAHamine

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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 8.79 -10.29 2 3 0 52 319.792 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-3-phenyl-propan-2-amine (2R)-1-[4-[(1S)-1-methylpropyl]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) 2.11 7.14 -96.59 4 3 2 35 277.456 6 ↓
Hi High (pH 8-9.5) 2.11 5.24 -39.98 3 3 1 34 276.448 6 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-(indan-5-ylamino)propanamide (2S)-N-cyclopropyl-2-(indan-5-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) 2.68 6.13 -8.83 2 3 0 41 244.338 4 ↓

Analogs

31885900
31885900

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic 1-isopropyl-3-(2-methoxyphenyl)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) 2.31 7.07 -56.93 0 5 -1 67 259.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(4-chloro-2-fluoro-phenyl)thie…

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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) 3.79 6.71 -8.88 2 3 0 52 279.727 1 ↓

Analogs

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Popular Name: N-[(1S,3R)-1-ethyl-3-methyl-pentyl]-3-(trifluoromethyl)aniline N-[(1S,3R)-1-ethyl-3-methyl-pent…

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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) 6.09 8.98 -2.92 1 1 0 12 273.342 7 ↓

Analogs

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Popular Name: (1R)-1-[2-(4-chloro-2-fluoro-phenyl)thiazol-5-yl]ethanol (1R)-1-[2-(4-chloro-2-fluoro-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) 3.36 4.43 -8.05 1 2 0 33 257.717 2 ↓

Analogs

34960322
34960322
34960324
34960324
36747292
36747292
37094451
37094451
37094452
37094452

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-2-(propylamino)propanamide N-phenyl-2-(propylamino)propanamide

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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 4.99 -40.8 3 3 1 46 207.297 5 ↓
Hi High (pH 8-9.5) 2.11 3.7 -8.69 2 3 0 41 206.289 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-(4-oxo-1-piperidyl)propanamide (2S)-N-cyclopropyl-2-(4-oxo-1-pi…

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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) -0.28 4.31 -43.79 2 4 1 51 211.285 3 ↓
Hi High (pH 8-9.5) -0.28 2.2 -11.04 1 4 0 49 210.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(4-chloro-2-fluoro-phenyl)thiazol-5-yl]ethanol (1S)-1-[2-(4-chloro-2-fluoro-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) 3.36 4.44 -8.06 1 2 0 33 257.717 2 ↓

Analogs

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Popular Name: (7S)-2-(4-chloro-2-fluoro-phenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-2-(4-chloro-2-fluoro-phenyl…

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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) 4.69 6.12 -5.28 1 2 0 33 311.809 1 ↓

Analogs

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Popular Name: 4-isopropoxy-N-[(1S,3R)-3-methylcyclohexyl]aniline 4-isopropoxy-N-[(1S,3R)-3-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) 5.17 8.11 -3.81 1 2 0 21 247.382 4 ↓

Analogs

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Popular Name: (7R)-2-(4-chloro-2-fluoro-phenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-2-(4-chloro-2-fluoro-phenyl…

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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) 4.69 6.12 -5.28 1 2 0 33 311.809 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(4-isobutylpiperazin-1-yl)pentanoic (4R)-4-(4-isobutylpiperazin-1-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) 1.47 7.09 -48.74 1 4 0 48 242.363 6 ↓
Hi High (pH 8-9.5) 1.47 7.15 -60.18 1 4 0 48 242.363 6 ↓
Hi High (pH 8-9.5) 1.47 5.18 -44.54 0 4 -1 47 241.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-isobutylpiperazin-1-yl)pentanoic (4S)-4-(4-isobutylpiperazin-1-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) 1.47 7.08 -48.91 1 4 0 48 242.363 6 ↓
Hi High (pH 8-9.5) 1.47 7.23 -59.57 1 4 0 48 242.363 6 ↓
Hi High (pH 8-9.5) 1.47 5.24 -45.06 0 4 -1 47 241.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(4-chloro-2-fluoro-phenyl…

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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) 3.81 5.21 -5.81 1 2 0 33 283.755 1 ↓

Analogs

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Popular Name: (2S,5R)-5-[(4-isobutylpiperazin-1-yl)methyl]tetrahydrofuran-2-carboxylic (2S,5R)-5-[(4-isobutylpiperazin-…

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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) 0.96 6.67 -64.11 1 5 0 57 270.373 5 ↓
Hi High (pH 8-9.5) 0.96 4.7 -49.94 0 5 -1 56 269.365 5 ↓

Analogs

37311547
37311547

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Popular Name: 3-(2-chlorophenyl)-1-isopropyl-pyrazole-4-carboxylic 3-(2-chlorophenyl)-1-isopropyl-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) 2.93 8.2 -52.24 0 4 -1 58 263.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(4-chloro-2-fluoro-phenyl…

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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) 3.81 5.21 -5.81 1 2 0 33 283.755 1 ↓

Analogs

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Popular Name: (2R)-N-isopropyl-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]propanamide (2R)-N-isopropyl-2-[[(2R)-tetrah…

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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) 0.58 2.53 -36.89 3 4 1 55 215.317 5 ↓
Hi High (pH 8-9.5) 0.58 1.38 -9.37 2 4 0 50 214.309 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(4-chloro-2-fluoro-phenyl)-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-(4-chloro-2-fluoro-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) 3.58 4.94 -7.24 1 2 0 33 271.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(1,1-dimethylpropyl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]propanamide (2S)-N-(1,1-dimethylpropyl)-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) 2.02 4.55 -36.28 3 4 1 46 270.441 7 ↓
Mid Mid (pH 6-8) 2.02 3.46 -39.63 3 4 1 49 270.441 7 ↓
Mid Mid (pH 6-8) 2.02 5.84 -109.75 4 4 2 50 271.449 7 ↓

Analogs

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Popular Name: (2S)-2-[(3,4-diethoxyphenyl)amino]-N-prop-2-ynyl-propanamide (2S)-2-[(3,4-diethoxyphenyl)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) 2.46 4.87 -12.47 2 5 0 60 290.363 8 ↓

Analogs

31885892
31885892

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-1-isopropyl-pyrazole-4-carboxylic 3-(4-chlorophenyl)-1-isopropyl-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) 2.98 8.18 -48.73 0 4 -1 58 263.704 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(4-chloro-2-fluoro-phenyl)-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-(4-chloro-2-fluoro-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) 3.58 4.94 -7.22 1 2 0 33 271.744 2 ↓

Analogs

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Popular Name: (2R)-N-(2-naphthylmethyl)-2-phenyl-propan-1-amine (2R)-N-(2-naphthylmethyl)-2-phen…

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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) 5.28 10.57 -4.32 1 1 0 12 275.395 5 ↓
Mid Mid (pH 6-8) 5.28 11.82 -47.6 2 1 1 17 276.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-5-[(4-isobutylpiperazin-1-yl)methyl]tetrahydrofuran-2-carboxylic (2S,5S)-5-[(4-isobutylpiperazin-…

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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) 0.96 6.82 -63.49 1 5 0 57 270.373 5 ↓
Hi High (pH 8-9.5) 0.96 4.86 -50.23 0 5 -1 56 269.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetamide N-cyclopentyl-2-(2,3-dihydro-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) 2.31 3.91 -12.45 2 5 0 60 276.336 4 ↓

Analogs

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Popular Name: 2-[(4-isopropoxyphenyl)amino]benzonitrile 2-[(4-isopropoxyphenyl)amino]ben…

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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 8.02 -5.91 1 3 0 45 252.317 4 ↓

Analogs

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Popular Name: (2R)-2-[3-(N-hydroxy-C-methyl-carbonimidoyl)phenoxy]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[3-(N-hydroxy-C-methyl-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) 2.05 5.35 -20.19 1 5 0 62 276.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-5-[(4-isobutylpiperazin-1-yl)methyl]tetrahydrofuran-2-carboxylic (2R,5R)-5-[(4-isobutylpiperazin-…

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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) 0.96 6.74 -61.77 1 5 0 57 270.373 5 ↓
Hi High (pH 8-9.5) 0.96 4.77 -50.86 0 5 -1 56 269.365 5 ↓

Analogs

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Popular Name: [(3S)-1,1-dioxothiolan-3-yl] [(3S)-1,1-dioxothiolan-3-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) 0.92 3.38 -13.37 2 6 0 90 298.364 4 ↓

Analogs

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Popular Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-benzoic 4-[4-(2-hydroxyethyl)piperazin-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) 1.59 3.85 -49.61 1 5 -1 67 263.317 4 ↓
Mid Mid (pH 6-8) 1.59 3.77 -60.5 2 5 0 68 264.325 4 ↓
Mid Mid (pH 6-8) 1.59 6.14 -74.53 2 5 0 68 264.325 4 ↓

Analogs

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Popular Name: [(3R)-1,1-dioxothiolan-3-yl] [(3R)-1,1-dioxothiolan-3-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) 0.92 3.38 -13.76 2 6 0 90 298.364 4 ↓

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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) 2.84 7.84 -15.95 0 3 0 43 244.649 4 ↓

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) 2.84 7.85 -16.1 0 3 0 43 244.649 4 ↓

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Popular Name: diethyl diethyl

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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) 3.08 9.84 -15.43 0 5 0 70 316.712 8 ↓

Analogs

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Popular Name: (E)-3-[2-[(1R)-1-methyl-2-oxo-2-propylamino-ethoxy]phenyl]prop-2-enoic (E)-3-[2-[(1R)-1-methyl-2-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) 2.09 6.41 -72.68 1 5 -1 78 276.312 7 ↓

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Popular Name: (2S)-N-benzyl-N,2-dimethyl-octane-1,2-diamine (2S)-N-benzyl-N,2-dimethyl-octan…

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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 7.17 -44.55 3 2 1 31 263.449 9 ↓

Analogs

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Popular Name: 2-[[(1R)-1-methyl-2-pyrrolidin-1-yl-ethyl]carbamoyl]benzoic 2-[[(1R)-1-methyl-2-pyrrolidin-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) 1.42 9.01 -68 2 5 0 74 276.336 5 ↓

Analogs

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Popular Name: (2S)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-N-sec-butyl-propanamide (2S)-2-[[(2S)-1-ethylpyrrolidin-…

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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) 1.54 4.55 -37.16 3 4 1 46 256.414 7 ↓
Mid Mid (pH 6-8) 1.54 3.51 -40.18 3 4 1 49 256.414 7 ↓
Mid Mid (pH 6-8) 1.54 5.86 -109.82 4 4 2 50 257.422 7 ↓

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) 4.34 8.82 -15.11 0 3 0 43 272.703 5 ↓

Analogs

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Popular Name: (2S)-2-[(3-ethylphenyl)amino]-N-[(1R)-1-methylbutyl]propanamide (2S)-2-[(3-ethylphenyl)amino]-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) 4.56 7.26 -8.25 2 3 0 41 262.397 7 ↓

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Popular Name:

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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

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