UCSF

Default (Public by cefeng) Default Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-chlorophenoxy)-5-nitro-terephthalic 2-(4-chlorophenoxy)-5-nitro-tere…

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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) 4.27 1.71 -99.88 0 8 -2 135 335.655 5 ↓

Analogs

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Popular Name: 2-(2-carboxyethylamino)terephthalic 2-(2-carboxyethylamino)terephthalic

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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) 1.24 -1.54 -169.94 1 7 -3 132 250.186 6 ↓

Analogs

6091651
6091651
34638968
34638968

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Popular Name: 2-Bromoterephthalic acid 2-Bromoterephthalic acid

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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) 2.16 -0.36 -93.47 0 4 -2 80 243.012 2 ↓

Analogs

34475717
34475717
39953720
39953720

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Popular Name: 2-fluoroterephthalic acid 2-fluoroterephthalic acid

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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) 1.51 3.77 -95.17 0 4 -2 80 182.106 2 ↓

Analogs

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Popular Name: Nitroterephthalic acid Nitroterephthalic acid

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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) 1.83 4.74 -94.87 0 7 -2 126 209.113 3 ↓

Analogs

4428360
4428360
23329815
23329815
34450353
34450353

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Popular Name: benzene-1,2,4-tricarboxylic acid benzene-1,2,4-tricarboxylic acid

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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 6.59 -197.33 0 6 -3 120 207.117 3 ↓
Lo Low (pH 4.5-6) 0.92 4.6 -113.44 1 6 -2 118 208.125 3 ↓
Lo Low (pH 4.5-6) 0.92 4.55 -98 1 6 -2 118 208.125 3 ↓

Analogs

37093711
37093711
39953648
39953648

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Popular Name: 2-(trifluoromethoxy)terephthalic acid 2-(trifluoromethoxy)terephthalic…

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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) 2.74 2.38 -94.62 0 5 -2 89 248.112 4 ↓

Analogs

6091651
6091651
34638968
34638968

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Popular Name: 2,5-dibromoterephthalic acid 2,5-dibromoterephthalic acid

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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) 2.56 -1.1 -90.65 0 4 -2 80 321.908 2 ↓

Analogs

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Popular Name: 2-[(5-chloro-2-methoxy-phenyl)carbamoyl]benzene-1,4-dicarboxylic 2-[(5-chloro-2-methoxy-phenyl)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) 2.90 -0.43 -108.52 1 7 -2 118 347.71 5 ↓

Analogs

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Popular Name: 2-[(2,4-dimethoxyphenyl)carbamoyl]terephthalic 2-[(2,4-dimethoxyphenyl)carbamoy…

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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) 2.28 -0.07 -111.1 1 8 -2 127 343.291 6 ↓

Analogs

34529330
34529330

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Popular Name: 2-Amino-5-chloroterephthalic acid 2-Amino-5-chloroterephthalic acid

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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) 1.62 -1.59 -94.5 2 5 -2 106 213.576 2 ↓

Analogs

22204540
22204540

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Popular Name: 2-benzoylbenzene-1,4-dicarboxylic 2-benzoylbenzene-1,4-dicarboxylic

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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 8.83 -104.48 0 5 -2 97 268.224 4 ↓

Analogs

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Popular Name: 2-(4-nitrobenzoyl)benzene-1,4-dicarboxylic 2-(4-nitrobenzoyl)benzene-1,4-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) 2.76 1.51 -94.75 0 8 -2 143 313.221 5 ↓

Analogs

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Popular Name: 2-(4-aminobenzoyl)benzene-1,4-dicarboxylic 2-(4-aminobenzoyl)benzene-1,4-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) 1.88 -1.08 -107.08 2 6 -2 123 283.239 4 ↓

Analogs

32002776
32002776
32003732
32003732
34623187
34623187
34623191
34623191
34623199
34623199

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Popular Name: Biphenyl-2,5-dicarboxylic acid Biphenyl-2,5-dicarboxylic acid

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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) 3.14 0.8 -102.75 0 4 -2 80 240.214 3 ↓

Analogs

33753687
33753687

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Popular Name: 2-amino-5-(2,4-dichlorophenoxy)-terephthalic 2-amino-5-(2,4-dichlorophenoxy)-…

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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 8.24 -101.86 2 6 -2 116 340.118 4 ↓

Analogs

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Popular Name: 2-benzothiazol-2-ylbenzene-1,4-dicarboxylic 2-benzothiazol-2-ylbenzene-1,4-d…

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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 9.11 -109.87 0 5 -2 93 297.291 3 ↓

Analogs

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Popular Name: 2,5-bis(2-carboxyethyl)benzene-1,4-dicarboxylic 2,5-bis(2-carboxyethyl)benzene-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) 0.82 9.4 -272.36 0 8 -4 161 306.226 8 ↓
Lo Low (pH 4.5-6) 0.82 5.46 -98.63 2 8 -2 155 308.242 8 ↓
Lo Low (pH 4.5-6) 0.82 7.42 -181.97 1 8 -3 158 307.234 8 ↓

Analogs

32207979
32207979
39243601
39243601

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Popular Name: naphthalene-1,4,5-tricarboxylic naphthalene-1,4,5-tricarboxylic

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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 9.13 -211.23 0 6 -3 120 257.177 3 ↓

Analogs

6096402
6096402
32263900
32263900
34947470
34947470
34947472
34947472
36449554
36449554

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Popular Name: 2,5-bis(isopropoxycarbonyl)terephthalic 2,5-bis(isopropoxycarbonyl)terep…

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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 3.01 -113 0 8 -2 132 336.296 8 ↓

Analogs

22204540
22204540

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Popular Name: 2-(4-Carboxy-benzoyl)-terephthalic acid 2-(4-Carboxy-benzoyl)-terephthal…

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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 0.58 -166.12 0 7 -3 137 311.225 5 ↓

Analogs

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Popular Name: 2,5-Diaminoterephthalicacid 2,5-Diaminoterephthalicacid

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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) 0.94 1.78 -94.86 4 6 -2 132 194.146 2 ↓

Analogs

6091194
6091194
6091752
6091752

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Popular Name: 2,5-dihydroxyterephthalic acid 2,5-dihydroxyterephthalic acid

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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) 1.76 -0.12 -98.5 2 6 -2 121 196.114 2 ↓

Analogs

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Popular Name: 2-(2-methylimidazol-1-yl)carbonylterephthalic 2-(2-methylimidazol-1-yl)carbony…

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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) 0.97 0.98 -96.49 0 7 -2 115 272.216 3 ↓
Mid Mid (pH 6-8) 0.97 1.19 -79.98 1 7 -1 116 273.224 3 ↓

Analogs

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Popular Name: 2-(2-phenylimidazol-1-yl)carbonylterephthalic 2-(2-phenylimidazol-1-yl)carbony…

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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 7.81 -97.22 0 7 -2 115 334.287 4 ↓
Mid Mid (pH 6-8) 2.99 8.27 -77.47 1 7 -1 116 335.295 4 ↓

Analogs

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Popular Name: 2-(4-pyridylcarbamoyl)benzene-1,4-dicarboxylic 2-(4-pyridylcarbamoyl)benzene-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) 0.95 -0.98 -106.79 1 7 -2 122 284.227 4 ↓
Lo Low (pH 4.5-6) 0.95 -0.87 -105.4 2 7 -1 123 285.235 4 ↓

Analogs

32207979
32207979
39243601
39243601

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Popular Name: 1,4,5,8-Naphthalenetetracarboxylic acid 1,4,5,8-Naphthalenetetracarboxyl…

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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) 1.24 10.46 -327.66 0 8 -4 161 300.178 4 ↓

Analogs

39349081
39349081
39649381
39649381

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Popular Name: 1,4-Naphthalenedicarboxylic acid 1,4-Naphthalenedicarboxylic acid

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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) 2.19 0.33 -100.55 0 4 -2 80 214.176 2 ↓

Analogs

34334624
34334624

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Popular Name: 2-Aminoterephthalic acid 2-Aminoterephthalic acid

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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) 1.35 1.83 -97.11 2 5 -2 106 179.131 2 ↓
Hi High (pH 8-9.5) 1.50 7.8 -23.51 2 9 0 104 505.497 7 ↓

Analogs

34527839
34527839
44225133
44225133
368526
368526

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Popular Name: 2,6-Dimethylterephthalic acid 2,6-Dimethylterephthalic acid

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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 0.72 -100.25 0 4 -2 80 192.17 2 ↓

Analogs

4428360
4428360
23329815
23329815
34450353
34450353

Draw Identity 99% 90% 80% 70%

Popular Name: Benzene-1,2,4,5-tetracarboxylic acid Benzene-1,2,4,5-tetracarboxylic …

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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 7.59 -308.41 0 8 -4 161 250.118 4 ↓
Lo Low (pH 4.5-6) 0.08 5.53 -197.84 1 8 -3 158 251.126 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-Dichloroterephthalic acid 2,5-Dichloroterephthalic acid

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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) 2.29 0.02 -91.1 0 4 -2 80 233.006 2 ↓
Hi High (pH 8-9.5) -1.00 5.13 -55.86 0 5 -1 71 166.16 1 ↓

Analogs

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Popular Name: 2,3,5,6-Tetrachloroterephthalic acid 2,3,5,6-Tetrachloroterephthalic …

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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) 3.51 5.62 -90.2 0 4 -2 80 301.896 2 ↓

Analogs

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Popular Name: 2-{[4-(benzoylamino)benzoyl]amino}terephthalic acid 2-{[4-(benzoylamino)benzoyl]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) 3.65 -0.75 -112.37 2 8 -2 138 402.362 6 ↓

Analogs

5161340
5161340
5316793
5316793
16917332
16917332
31308762
31308762
31490262
31490262

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Popular Name: 2,5-Dianilinoterephthalic acid 2,5-Dianilinoterephthalic acid

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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) 5.96 -0.52 -109.05 2 6 -2 104 346.342 6 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-5-nitro-terephthalic 2-(2,4-dichlorophenoxy)-5-nitro-…

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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) 4.87 1.59 -101.24 0 8 -2 135 370.1 5 ↓

Analogs

38416841
38416841

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Popular Name: 2-Chloroterephthalic acid 2-Chloroterephthalic acid

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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) 2.03 0.2 -93.76 0 4 -2 80 198.561 2 ↓

Analogs

34527839
34527839
368526
368526

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Popular Name: 2-Methylterephthalic acid 2-Methylterephthalic acid

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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) 1.80 4.28 -96.96 0 4 -2 80 178.143 2 ↓

Analogs

5160632
5160632
5161340
5161340
5316793
5316793
16917332
16917332
31308762
31308762

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-bis(p-Toluidino)terephthalic acid 2,5-bis(p-Toluidino)terephthalic…

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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) 6.86 0.18 -111.21 2 6 -2 104 374.396 6 ↓

Analogs

34527839
34527839
368526
368526

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Popular Name: 2,3,5,6-tetramethylterephthalic acid 2,3,5,6-tetramethylterephthalic …

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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) 2.59 0.94 -105.42 0 4 -2 80 220.224 2 ↓

Analogs

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Popular Name: 2-((9H-fluoren-2-ylamino)carbonyl)terephthalic acid; nsc73100 2-((9H-fluoren-2-ylamino)carbony…

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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) 4.11 12.33 -108.39 1 6 -2 109 371.348 4 ↓

Analogs

34628358
34628358

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Popular Name: 2-hydroxyterephthalic acid 2-hydroxyterephthalic acid

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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) 1.76 1.82 -97.35 1 5 -2 100 180.115 2 ↓

Analogs

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Popular Name: 2-Bromo-5-chloroterephthalic acid 2-Bromo-5-chloroterephthalic acid

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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 -0.53 -90.89 0 4 -2 80 277.457 2 ↓

Analogs

4530132
4530132
39291416
39291416
39291422
39291422
39291432
39291432

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Popular Name: 2-methyl-5-nitro-terephthalate 2-methyl-5-nitro-terephthalate

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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 5.28 -96.79 0 7 -2 126 223.14 3 ↓

Analogs

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Popular Name: 2,6-Dinitroterephthalic acid 2,6-Dinitroterephthalic acid

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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) 1.19 1.32 -94.41 0 10 -2 171 254.11 4 ↓

Analogs

1722884
1722884
7023237
7023237
19801546
19801546
19801548
19801548
19801570
19801570

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Popular Name: 2-tert-butylterephthalate 2-tert-butylterephthalate

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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 1.19 -98.16 0 4 -2 80 220.224 3 ↓

Analogs

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Popular Name: 3-aminobenzene-1,2,4-tricarboxylate 3-aminobenzene-1,2,4-tricarboxylate

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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) 0.51 1.88 -194.57 2 7 -3 146 222.132 3 ↓

Analogs

44199139
44199139

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Popular Name: 2-bromo-5-methoxy-terephthalate 2-bromo-5-methoxy-terephthalate

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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 0.13 -97.89 0 5 -2 89 273.038 3 ↓

Analogs

5732464
5732464
34475720
34475720
39254342
39254342
39255002
39255002
44199437
44199437

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Popular Name: 2-Methoxyterephthalic acid 2-Methoxyterephthalic acid

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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) 1.82 0.87 -100.96 0 5 -2 89 194.142 3 ↓

Analogs

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Popular Name: 2,5-difluoroterephthalate 2,5-difluoroterephthalate

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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) 1.26 1.67 -92.94 0 4 -2 80 200.096 2 ↓