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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

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5'-Bi-1h-tetrazole 5,5'-Bi-1h-tetrazole

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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) -1.00 -2.24 -7.55 2 8 0 109 138.094 1 ↓
Ref Reference (pH 7) -1.00 -2.1 -6.33 2 8 0 109 138.094 1 ↓
Lo Low (pH 4.5-6) -1.00 -2.4 -36.54 1 8 -1 107 137.086 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl (2S)-2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-methylbutanoate;hydrochloride methyl (2S)-2-[[4-(2-cyanophenyl…

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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) 4.51 11.93 -10.86 0 4 0 53 322.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-4-Benzyl-3-(4-fluorophenyl)morpholin-2-one (S)-4-Benzyl-3-(4-fluorophenyl)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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,10-Triphenylenetriol, 3,7,11-tris(pentyloxy)- 2,6,10-Triphenylenetriol, 3,7,11…

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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) 8.78 12.28 -11.33 3 6 0 88 534.693 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Aminoquinuclidine dihydrochloride 3-Aminoquinuclidine dihydrochloride

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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

Analogs

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Popular Name: Methyl cis-4-methoxy-cyclohexanc-1-aminocarboxylate hydrochloride Methyl cis-4-methoxy-cyclohexanc…

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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) 2.65 2.15 -6.61 1 4 0 48 187.239 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Tricaine methanesulfonate Tricaine methanesulfonate

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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) -3.42 -5.42 -41.85 4 8 0 141 257.264 8 ↓
Hi High (pH 8-9.5) -3.42 -6.66 -53.89 3 8 -1 136 256.256 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Amino-6-methyl-2-benzimidazolone 5-Amino-6-methyl-2-benzimidazolone

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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

Analogs

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Popular Name: 1-Acenaphthenone 1-Acenaphthenone

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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

Analogs

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Popular Name: 7h-pyrrolo[2,3-d]pyrimidin-4-ol 7h-pyrrolo[2,3-d]pyrimidin-4-ol

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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

Analogs

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Popular Name: N4-Acetylcytosine N4-Acetylcytosine

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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) -1.00 -0.04 -29.48 2 5 0 75 153.141 1 ↓
Ref Reference (pH 7) -0.54 -2 -64.42 1 5 -1 78 152.133 1 ↓
Hi High (pH 8-9.5) -1.00 -0.7 -23.4 2 5 0 75 153.141 1 ↓

Analogs

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Popular Name: DL-2,4-Diaminobutyric acid dihydrochloride DL-2,4-Diaminobutyric acid dihyd…

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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
Hi High (pH 8-9.5) 2.50 6.11 -84.93 6 7 2 107 475.637 8 ↓

Analogs

22048217
22048217

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride 7-Amino-3-chloromethyl-3-cephem-…

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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 5.88 -61.92 3 6 1 83 369.85 6 ↓
Mid Mid (pH 6-8) 1.43 5.56 -14.51 2 6 0 82 368.842 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine 4,6-Dichloro-1H-pyrazolo[3,4-d]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

Analogs

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Popular Name: (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine (3R,4R)-1-Benzyl-N,4-dimethylpip…

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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

Analogs

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Popular Name: (2S,3R)-2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine (2S,3R)-2-[(1S)-1-[3,5-Bis(trifl…

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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) 5.32 9.71 -4.99 1 3 0 30 437.355 6 ↓
Mid Mid (pH 6-8) 5.32 10.9 -48.83 2 3 1 35 438.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-benzylmorpholin-3-one (S)-2-((R)-1-(3,5-bis(trifluorom…

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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) 4.54 11.89 -12.86 0 4 0 39 447.375 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride (2R,3S)-2-((R)-1-(3,5-Bis(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
Hi High (pH 8-9.5) 2.33 4.39 -3.59 1 1 0 20 182.288 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylpiperazine 2-methylpiperazine

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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
Hi High (pH 8-9.5) -0.28 -0.62 -33.47 3 2 1 29 101.173 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylpiperazine 2-methylpiperazine

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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
Hi High (pH 8-9.5) -0.28 -0.61 -32.58 3 2 1 29 101.173 0 ↓

Analogs

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Popular Name: 1H-octahydropyrrolo[3,4-b]pyridine 1H-octahydropyrrolo[3,4-b]pyridine

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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

Analogs

36378008
36378008

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Popular Name: H-Ala-OiPr.HCl H-Ala-OiPr.HCl

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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) 0.12 1.95 -41.11 3 3 1 54 132.183 3 ↓
Mid Mid (pH 6-8) 0.12 1.63 -5.25 2 3 0 52 131.175 3 ↓

Analogs

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Popular Name: (1S,2s)-(-)-1,2-diphenylethylenediamine (1S,2s)-(-)-1,2-diphenylethylene…

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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

Analogs

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Popular Name: (1R,2R)-(+)-1,2-Diphenylethylenediamine (1R,2R)-(+)-1,2-Diphenylethylene…

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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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Val-OBzl HCl Val-OBzl HCl

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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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Mercaptopurine 6-Mercaptopurine

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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

Analogs

39123517
39123517

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Popular Name: 3-Hydroxy-2-nitropyridine 3-Hydroxy-2-nitropyridine

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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) 0.73 3.51 -47.46 0 5 -1 82 139.09 1 ↓
Mid Mid (pH 6-8) 0.73 2.54 -14.92 1 5 0 79 140.098 1 ↓
Lo Low (pH 4.5-6) 0.73 2.76 -43.8 2 5 1 80 141.106 1 ↓

Analogs

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Popular Name: 2-(Trifluoromethyl)pyridin-4-ol 2-(Trifluoromethyl)pyridin-4-ol

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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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Amino-4-methylpiperazine 1-Amino-4-methylpiperazine

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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

Analogs

34679225
34679225
34689299
34689299
36882445
36882445
36882446
36882446
36984899
36984899

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Popular Name: 1-methyl-3-phenylpiperazine 1-methyl-3-phenylpiperazine

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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) 1.57 6.07 -115.05 3 2 2 21 178.279 1 ↓
Hi High (pH 8-9.5) 1.57 2.54 -2.16 1 2 0 15 176.263 1 ↓
Mid Mid (pH 6-8) 1.57 3.67 -35.87 2 2 1 20 177.271 1 ↓

Analogs

34679225
34679225
34689299
34689299
36882445
36882445
36882446
36882446
43897148
43897148

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-phenylpiperazine 1-methyl-3-phenylpiperazine

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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) 1.57 6.07 -115.07 3 2 2 21 178.279 1 ↓
Hi High (pH 8-9.5) 1.57 2.37 -2.37 1 2 0 15 176.263 1 ↓
Mid Mid (pH 6-8) 1.57 3.67 -35.89 2 2 1 20 177.271 1 ↓

Analogs

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Popular Name: 2,6-DIMERCAPTOPURINE 2,6-DIMERCAPTOPURINE

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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) 0.32 3.84 -40.15 2 4 -1 57 183.241 0 ↓
Ref Reference (pH 7) 0.32 3.81 -41.33 2 4 -1 57 183.241 0 ↓
Ref Reference (pH 7) 0.32 3.75 -39.87 2 4 -1 57 183.241 0 ↓

Analogs

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Popular Name: 2-Chloro-4-hydroxypyridine 2-Chloro-4-hydroxypyridine

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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

Analogs

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Popular Name: 6-Fluoro-5-methylpyridin-3-ol 6-Fluoro-5-methylpyridin-3-ol

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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

Analogs

21298393
21298393

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Popular Name: 1-Boc-2-methoxycarbonylmethylpiperazine 1-Boc-2-methoxycarbonylmethylpip…

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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 4.5 -54.42 2 6 1 72 259.326 5 ↓
Mid Mid (pH 6-8) 0.49 3.09 -8.82 1 6 0 68 258.318 5 ↓

Analogs

21298388
21298388

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Popular Name: 1-Boc-2-methoxycarbonylmethylpiperazine 1-Boc-2-methoxycarbonylmethylpip…

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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 4.48 -54.25 2 6 1 72 259.326 5 ↓
Mid Mid (pH 6-8) 0.49 3.1 -9.37 1 6 0 68 258.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazol-3-amine 1H-Pyrazol-3-amine

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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

Analogs

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Popular Name: 5-Bromo-1H-1,2,4-triazole 5-Bromo-1H-1,2,4-triazole

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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

Analogs

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Popular Name: 3-(4-Fluorophenyl)-1H-pyrazole 3-(4-Fluorophenyl)-1H-pyrazole

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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 4.55 -5.56 1 2 0 29 162.167 1 ↓
Mid Mid (pH 6-8) 2.16 4.6 -6.89 1 2 0 29 162.167 1 ↓

Analogs

34616958
34616958

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Popular Name: 3-Nitro-1H-pyrazole 3-Nitro-1H-pyrazole

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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) -0.01 3.03 -13.49 0 5 0 71 113.076 1 ↓
Hi High (pH 8-9.5) 0.40 2.51 -31.06 0 5 -1 73 112.068 1 ↓
Hi High (pH 8-9.5) 0.40 2.52 -30.93 0 5 -1 73 112.068 1 ↓

Analogs

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Popular Name: 3-Methylaminopiperidine dihydrochloride 3-Methylaminopiperidine dihydroc…

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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

Analogs

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Popular Name: 3-Methylaminopiperidine dihydrochloride 3-Methylaminopiperidine dihydroc…

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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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Popular Name: 2-Ethylimidazole 2-Ethylimidazole

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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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Popular Name: 4-Hydrazinopyridine 4-Hydrazinopyridine

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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
Mid Mid (pH 6-8) -0.11 0.39 -5.16 3 3 0 51 109.132 1 ↓

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Popular Name: (2-chlorophenyl)-[2-(methylamino)-5-nitrophenyl]methanone (2-chlorophenyl)-[2-(methylamino…

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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) 3.77 7.97 -12.35 1 5 0 75 290.706 4 ↓

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Popular Name: 4-Methylbenzyl alcohol 4-Methylbenzyl alcohol

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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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Popular Name: Isopropyl 5-chloro-4-methyl-2-nitrobenzoate Isopropyl 5-chloro-4-methyl-2-ni…

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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) 3.97 8.9 -9.52 0 5 0 72 257.673 4 ↓

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Popular Name: 4-Bromo-3,5-dimethylbenzoic acid 4-Bromo-3,5-dimethylbenzoic 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) 3.41 6.8 -45.2 0 2 -1 40 228.065 1 ↓

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Popular Name: 1,1-Cyclohexanediacetic acid mono methyl ester 1,1-Cyclohexanediacetic acid mon…

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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) 1.64 6.64 -44.98 0 4 -1 66 213.253 5 ↓
Lo Low (pH 4.5-6) 1.64 4.66 -4.77 1 4 0 64 214.261 5 ↓

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Popular Name: 1,1-Cyclohexanediacetic acid monoamide 1,1-Cyclohexanediacetic acid mon…

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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 2.88 -46.49 2 4 -1 83 198.242 4 ↓
Lo Low (pH 4.5-6) 0.82 0.9 -5.9 3 4 0 80 199.25 4 ↓

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