UCSF

Default (Public by lailabouzeid) Default Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Hydroxycelecoxib Hydroxycelecoxib

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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 1.99 -14.13 3 6 0 98 397.378 5 ↓

Analogs

12353732
12353732

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Popular Name: Resveratrol Resveratrol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 0.79 -8.46 3 3 0 61 228.247 2 ↓

Analogs

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Popular Name: Benzimidazole Benzimidazole

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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) 1.43 4.16 -8.41 1 2 0 29 118.139 0 ↓

Analogs

34474878
34474878

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Popular Name: 2-(Methylthio)benzimidazole 2-(Methylthio)benzimidazole

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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 -1.38 -6.89 1 2 0 29 164.233 1 ↓

Analogs

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Popular Name: 2-Amino-6-chlorobenzimidazole 2-Amino-6-chlorobenzimidazole

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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) 1.89 4.14 -11.24 3 3 0 55 167.599 0 ↓

Analogs

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Popular Name: 2-hydroxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide 2-hydroxy-N-(6-nitro-1,3-benzoth…

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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 6.78 -15.07 2 7 0 108 315.31 3 ↓

Analogs

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Popular Name: 5-Chloro-2-methyl-1H-benzo[d]imidazole 5-Chloro-2-methyl-1H-benzo[d]imi…

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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) 2.17 4.51 -7.88 1 2 0 29 166.611 0 ↓

Analogs

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Popular Name: N-Hydroxy-2-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)pyrimidine-5-carboxamide N-Hydroxy-2-(4-(naphthalen-2-yls…

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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) 1.65 6.15 -20.69 2 9 0 116 413.459 4 ↓
Hi High (pH 8-9.5) 1.65 7.35 -58.25 1 9 -1 119 412.451 4 ↓

Analogs

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Popular Name: Scriptaid Scriptaid

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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) 2.40 6.27 -23.43 2 6 0 88 326.352 6 ↓

Analogs

3986697
3986697
4008085
4008085
6246475
6246475
6246477
6246477
33829519
33829519

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Popular Name: (+/-)-2-(3-PYRIDINYL)-1-AZABICYCLO[2.2.2]OCTANE DIHYDROCHLORIDE (+/-)-2-(3-PYRIDINYL)-1-AZABICYC…

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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) 1.78 0.19 -34.31 1 2 1 17 189.282 1 ↓
Lo Low (pH 4.5-6) 1.78 0.31 -95.04 2 2 2 18 190.29 1 ↓

Analogs

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Popular Name: 2-{2-[(1,3-benzodioxol-5-ylamino)carbonyl]phenyl}acetic acid 2-{2-[(1,3-benzodioxol-5-ylamino…

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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 -0.7 -67.68 1 6 -1 87 298.274 4 ↓

Analogs

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Popular Name: 4-Chloro-2-mercapto-6-(trifluoromethyl)-benzimidazole 4-Chloro-2-mercapto-6-(trifluoro…

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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) 2.89 5.64 -9.46 2 2 0 32 252.648 1 ↓
Mid Mid (pH 6-8) 3.62 5.34 -36.02 1 2 -1 29 251.64 1 ↓

Analogs

36374542
36374542

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Popular Name: 2-(3-Hydroxy-n-propyl)-5-(trifluoromethyl)-benzimidazole 2-(3-Hydroxy-n-propyl)-5-(triflu…

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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) 2.22 3.07 -10.92 2 3 0 49 244.216 4 ↓

Analogs

38792110
38792110
38531578
38531578
38531580
38531580

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Popular Name: Benzimidazole Benzimidazole

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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) 0.85 2.35 -6.33 0 2 0 25 118.139 0 ↓

Analogs

38531578
38531578
38531580
38531580
38792109
38792109

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Popular Name: Benzimidazole Benzimidazole

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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) 0.85 2.35 -6.33 0 2 0 25 118.139 0 ↓

Analogs

672163
672163
2088385
2088385
6124299
6124299
41656027
41656027

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Popular Name: 6-Bromo-2-(4-isopropylphenyl)quinoline-4-carboxylic acid 6-Bromo-2-(4-isopropylphenyl)qui…

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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) 5.93 0.42 -48.29 0 3 -1 53 369.238 3 ↓

Analogs

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Popular Name: N-[5-(4-nitrophenyl)azo-4-phenyl-thiazol-2-yl]acetamide N-[5-(4-nitrophenyl)azo-4-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) 4.16 8.53 -13.19 1 8 0 113 367.39 5 ↓

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) 2.93 11.36 -21.66 0 5 0 60 397.294 7 ↓

Analogs

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Popular Name: 3-(2-fluorophenoxy)-N-(4-methylthiazol-2-yl)-propanamide 3-(2-fluorophenoxy)-N-(4-methylt…

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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 -0.33 -10.67 1 4 0 51 280.324 5 ↓

Analogs

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Popular Name: 5-(4-fluorophenyl)azo-4-methyl-3H-thiazol-2-imine 5-(4-fluorophenyl)azo-4-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 4.13 -6.4 2 4 0 61 236.275 2 ↓
Ref Reference (pH 7) 3.18 3.77 -7.6 2 4 0 64 236.275 2 ↓

Analogs

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Popular Name: N-[4-[(Z)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-[(Z)-N-hydroxy-C-methyl-car…

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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) 1.32 1.89 -11.37 3 6 0 90 258.281 3 ↓
Mid Mid (pH 6-8) 1.32 1.93 -14.57 3 6 0 90 258.281 3 ↓

Analogs

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Popular Name: 5-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[4-[(1S)-1-(propylami…

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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 5.65 -42.5 4 5 1 74 287.387 6 ↓
Mid Mid (pH 6-8) 2.36 5.68 -45.53 4 5 1 74 287.387 6 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-(4-pentylphenyl)-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-(4-pentylphenyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 7.79 -9.61 2 4 0 58 285.391 6 ↓

Analogs

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Popular Name: N-[4-(2-amino-2-oxo-ethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide N-[4-(2-amino-2-oxo-ethyl)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) 0.49 1.5 -17.59 4 6 0 101 272.308 4 ↓

Analogs

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Popular Name: 5-methyl-N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[4-[2-(methylamino)-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) 0.64 2.49 -17.12 3 6 0 87 272.308 4 ↓

Analogs

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Popular Name: N-[4-(2-amino-2-thioxo-ethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-(2-amino-2-thioxo-ethyl)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) 0.45 3.31 -17.72 4 5 0 84 274.349 4 ↓
Mid Mid (pH 6-8) 0.45 3.34 -21.36 4 5 0 84 274.349 4 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-(4-cyanophenyl)-N,3,5-trimethy…

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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) 1.58 6.09 -12.39 1 5 0 73 254.293 2 ↓

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-hydroxy-4-methyl-phenyl)-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) 1.72 1.43 -11.79 3 5 0 78 231.255 2 ↓
Mid Mid (pH 6-8) 1.72 1.45 -15.73 3 5 0 78 231.255 2 ↓

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) 1.53 4.21 -15.15 2 6 0 84 259.265 4 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide N-(4-fluorophenyl)-3,5-dimethyl-…

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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) 1.75 4.09 -10 2 4 0 58 233.246 2 ↓

Analogs

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Popular Name: N-[3-(dimethylaminomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[3-(dimethylaminomethyl)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) 1.14 5.43 -44.85 3 5 1 62 259.333 4 ↓
Hi High (pH 8-9.5) 1.14 2.99 -12.31 2 5 0 61 258.325 4 ↓

Analogs

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Popular Name: N-[2-(diethylaminomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[2-(diethylaminomethyl)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) 1.87 7.02 -40.46 3 5 1 62 287.387 6 ↓

Analogs

37791553
37791553

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Popular Name: 3,5-dimethyl-N-[3-(methylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[3-(methylaminome…

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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 3.94 -50.76 4 5 1 74 259.333 4 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-chloro-2-methyl-phenyl)-5-m…

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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) 2.39 4.8 -8.07 2 4 0 58 249.701 2 ↓

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-chloro-4-cyano-phenyl)-5-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) 1.72 4.34 -10.61 2 5 0 82 260.684 2 ↓
Mid Mid (pH 6-8) 1.72 4.37 -14.3 2 5 0 82 260.684 2 ↓

Analogs

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Popular Name: N-[3-(aminomethyl)-4-fluoro-phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[3-(aminomethyl)-4-fluoro-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) 0.64 1.6 -50.67 5 5 1 85 249.269 3 ↓
Hi High (pH 8-9.5) 0.64 1.22 -13.06 4 5 0 84 248.261 3 ↓
Hi High (pH 8-9.5) 0.64 1.19 -9.31 4 5 0 84 248.261 3 ↓

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide N-[2-chloro-5-(trifluoromethyl)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) 3.08 5.64 -9.08 2 4 0 58 317.698 3 ↓

Analogs

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Popular Name: N-(2-aminophenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(2-aminophenyl)-5-methyl-1H-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 1.67 -9.81 4 5 0 84 216.244 2 ↓

Analogs

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Popular Name: 5-methyl-N-(2-naphthyl)-1H-pyrazole-4-carboxamide 5-methyl-N-(2-naphthyl)-1H-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) 2.54 5.8 -9.95 2 4 0 58 251.289 2 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide N-(3,5-dimethylphenyl)-N,5-dimet…

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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 5.77 -9.79 1 4 0 49 243.31 2 ↓

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Popular Name: N-(4-chloro-2-methyl-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(4-chloro-2-methyl-phenyl)-5-m…

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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) 2.41 4.92 -8.6 2 4 0 58 249.701 2 ↓

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Popular Name: N-(3-ethynylphenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-ethynylphenyl)-5-methyl-1H-…

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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) 1.10 4.72 -12.25 2 4 0 58 225.251 2 ↓

Analogs

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Popular Name: N-[4-(4-hydroxybut-1-ynyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-(4-hydroxybut-1-ynyl)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) 1.20 3.1 -11.72 3 5 0 78 269.304 3 ↓
Mid Mid (pH 6-8) 1.20 3.13 -15.23 3 5 0 78 269.304 3 ↓

Analogs

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Popular Name: 5-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[2-methyl-4-(methylca…

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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) 0.93 2.7 -13.69 3 6 0 87 272.308 3 ↓

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Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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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) 0.45 4.44 -17.04 2 6 0 78 286.335 4 ↓

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Popular Name: N-(4-carbamoyl-2-methyl-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide N-(4-carbamoyl-2-methyl-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) 0.78 1.71 -13.89 4 6 0 101 272.308 3 ↓

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Popular Name: N-[4-(allylcarbamoyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[4-(allylcarbamoyl)phenyl]-5-m…

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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) 1.20 3.2 -12.78 3 6 0 87 284.319 5 ↓

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Popular Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[2-chloro-6-(trifluoromethyl)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) 2.84 5.44 -10.15 2 4 0 58 303.671 3 ↓
Mid Mid (pH 6-8) 2.84 5.47 -12.72 2 4 0 58 303.671 3 ↓

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Popular Name: N-[2-(hydroxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide N-[2-(hydroxymethyl)phenyl]-5-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) 0.65 1.14 -10.8 3 5 0 78 231.255 3 ↓
Mid Mid (pH 6-8) 0.65 1.17 -14.41 3 5 0 78 231.255 3 ↓

Analogs

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Popular Name: N-(3-fluoro-2-methyl-phenyl)-5-methyl-1H-pyrazole-4-carboxamide N-(3-fluoro-2-methyl-phenyl)-5-m…

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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) 1.88 4.41 -8.41 2 4 0 58 233.246 2 ↓
Mid Mid (pH 6-8) 1.88 4.43 -11.69 2 4 0 58 233.246 2 ↓