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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-DICHLOROPYRIMIDINE 2,4-DICHLOROPYRIMIDINE

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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) 1.81 2.77 -5.75 0 2 0 26 148.98 0 ↓

Analogs

8436751
8436751
39048910
39048910
39048985
39048985
39049364
39049364
39050090
39050090

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Ethynylpyridine 2-Ethynylpyridine

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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) 0.53 3.82 -7.29 0 1 0 13 103.124 0 ↓
Lo Low (pH 4.5-6) 0.53 4.11 -28.71 1 1 1 14 104.132 0 ↓

Analogs

39051712
39051712

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Amino-2-methylpyridine 5-Amino-2-methylpyridine

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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) 0.40 1.22 -4.94 2 2 0 39 108.144 0 ↓
Mid Mid (pH 6-8) 0.40 1.48 -26.51 3 2 1 40 109.152 0 ↓

Analogs

34569546
34569546

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloronicotinoyl chloride 2-Chloronicotinoyl chloride

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 0.26 -7.68 0 2 0 30 176.002 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1,3,5-trimethyl-1H-pyrazole 4-bromo-1,3,5-trimethyl-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) 1.57 3.94 -5.88 0 2 0 18 189.056 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-3,5-dichloropyridine 2-Amino-3,5-dichloropyridine

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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) 1.98 2.52 -3.31 2 2 0 39 163.007 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-Chloro-1H-indol-2-yl)methanol (6-Chloro-1H-indol-2-yl)methanol

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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 2.35 -6.38 2 2 0 36 181.622 1 ↓

Analogs

22048071
22048071

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Aminopyrene 1-Aminopyrene

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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) 4.31 -0.35 -9.15 2 1 0 26 217.271 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 4-iodobenzoate Methyl 4-iodobenzoate

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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) 3.19 1.5 -4.38 0 2 0 26 262.046 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-thiadiazol-4-ylmethanol 1,2,3-thiadiazol-4-ylmethanol

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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) 0.11 -1.77 -7.62 1 3 0 46 116.145 1 ↓

Analogs

44198917
44198917
44198919
44198919
44672049
44672049

Draw Identity 99% 90% 80% 70%

Popular Name: (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol (5-methyl-1-phenyl-1H-pyrazol-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) 1.15 3.48 -9.77 1 3 0 38 188.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-isonicotinic acid hydrazide 2-Amino-isonicotinic acid hydrazide

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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 -1.7 -13.88 5 5 0 94 152.157 1 ↓

Analogs

16575496
16575496
16575498
16575498

Draw Identity 99% 90% 80% 70%

Popular Name: tert-Butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate tert-Butyl bicyclo[2.2.1]hept-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) 3.25 7.69 -4.46 0 2 0 26 194.274 3 ↓

Analogs

16575496
16575496
16575498
16575498

Draw Identity 99% 90% 80% 70%

Popular Name: tert-Butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate tert-Butyl bicyclo[2.2.1]hept-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) 3.25 7.78 -3.53 0 2 0 26 194.274 3 ↓

Analogs

34975769
34975769
34975771
34975771

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Thenoylacetonitrile 2-Thenoylacetonitrile

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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 4.55 -12.45 0 2 0 41 151.19 2 ↓

Analogs

156986
156986

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 1-methyl-1H-pyrrole-2-carboxylate ethyl 1-methyl-1H-pyrrole-2-carb…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 2.77 -7.78 0 3 0 31 153.181 3 ↓

Analogs

25492583
25492583

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-Dichloropyrimidine-5-carbaldehyde 4,6-Dichloropyrimidine-5-carbald…

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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) 1.55 3.08 -5.29 0 3 0 43 176.99 1 ↓

Analogs

39125765
39125765

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-fluorophenol 3-chloro-4-fluorophenol

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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) 2.23 2.2 -4.41 1 1 0 20 146.548 0 ↓

Analogs

32189931
32189931

Draw Identity 99% 90% 80% 70%

Popular Name: N-Hydroxyphthalimide N-Hydroxyphthalimide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 1.81 -11.05 1 4 0 59 163.132 0 ↓

Analogs

26515731
26515731
26515733
26515733

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Methoxybenzonitrile 3-Methoxybenzonitrile

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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) 1.73 4.18 -6.01 0 2 0 33 133.15 1 ↓

Analogs

40174145
40174145

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate ethyl 2-(2-amino-1,3-thiazol-4-y…

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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) 1.13 3.05 -10.31 2 4 0 65 186.236 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Diphenyl sulfone Diphenyl sulfone

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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) 2.78 -2.3 -9.64 0 2 0 34 218.277 2 ↓

Analogs

43465070
43465070

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-Bromobutoxy)-2-methoxy-benzene 1-(4-Bromobutoxy)-2-methoxy-benzene

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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 0.82 -6.34 0 2 0 18 259.143 6 ↓

Analogs

15770218
15770218
3178432
3178432
1710746
1710746
726069
726069

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Bis(5-phenyloxazol-2-yl)benzene 1,4-Bis(5-phenyloxazol-2-yl)benzene

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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) 6.19 9.01 -9.74 0 4 0 52 364.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Methyl-2-thiophenecarboxaldehyde 5-Methyl-2-thiophenecarboxaldehyde

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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) 1.85 4.1 -5.75 0 1 0 17 126.18 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-1H-indole-2-carbaldehyde 6-bromo-1H-indole-2-carbaldehyde

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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) 2.97 4.68 -7.59 1 2 0 33 224.057 1 ↓
Ref Reference (pH 7) 2.54 4.62 -14.33 0 2 0 29 224.057 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Benzyloxybenzaldehyde 3-Benzyloxybenzaldehyde

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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) 3.35 1.79 -10.43 0 2 0 26 212.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 2-chloroisonicotinate Methyl 2-chloroisonicotinate

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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) 1.84 3.82 -6.59 0 3 0 39 171.583 2 ↓

Analogs

34592686
34592686
36460888
36460888

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-Dibromoaniline 2,5-Dibromoaniline

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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) 2.97 -2.18 -1.94 2 1 0 26 250.921 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(Trifluoromethyl)phenyl isothiocyanate 4-(Trifluoromethyl)phenyl isothi…

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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) 4.20 2.5 -3.11 0 1 0 12 203.188 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-DIETHYLBENZENE 1,4-DIETHYLBENZENE

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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 2.16 -1.67 0 0 0 0 134.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Pentanethiol 1-Pentanethiol

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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) 2.58 0.66 -0.94 0 0 0 0 104.218 3 ↓
Hi High (pH 8-9.5) 2.58 -0.3 -42.8 0 0 -1 0 103.21 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-Dihydroxy-4-methylcoumarin 5,7-Dihydroxy-4-methylcoumarin

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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 1.23 -12.69 2 4 0 71 192.17 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(Trifluoromethyl)phenyl isocyanate 4-(Trifluoromethyl)phenyl isocya…

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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) 2.66 3.19 -2.64 0 2 0 29 187.12 2 ↓

Analogs

34975750
34975750
34975752
34975752

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-Dimethyl-3-oxopentanenitrile 4,4-Dimethyl-3-oxopentanenitrile

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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 4.35 -12.56 0 2 0 41 125.171 2 ↓

Analogs

2149682
2149682

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Bromo-2-naphthyl alpha-D-galactopyranoside 6-Bromo-2-naphthyl alpha-D-galac…

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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 -9.74 -8.6 4 6 0 99 385.21 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Bis(trifluoromethyl)phenol 3,5-Bis(trifluoromethyl)phenol

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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) 3.18 3.56 -3.95 1 1 0 20 230.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Allylpentafluorobenzene Allylpentafluorobenzene

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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) 3.29 6.74 -1.62 0 0 0 0 208.129 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methanesulfonic anhydride Methanesulfonic anhydride

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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 -2.59 -10 0 5 0 78 174.199 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-Bromobenzo[b]thiophen-3-yl)ethanone 1-(5-Bromobenzo[b]thiophen-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) 3.52 0.17 -9.85 0 1 0 17 255.136 1 ↓

Analogs

39038370
39038370
39048633
39048633
39244519
39244519

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-Aminoacetophenone 2'-Aminoacetophenone

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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) 1.27 3.17 -5.62 2 2 0 43 135.166 1 ↓

Analogs

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Popular Name: Ethyl 2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylate Ethyl 2-(4-hydroxypiperidin-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) 0.02 5.38 -7.95 1 6 0 76 251.286 4 ↓

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Popular Name: 4-Aminophenyl-beta-D-glucopyranoside 4-Aminophenyl-beta-D-glucopyrano…

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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) -1.25 -6.53 -10.81 6 7 0 125 271.269 3 ↓

Analogs

5161895
5161895
5161896
5161896

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Popular Name: "4-Aminophenyl ¦Â-D-glucopyranoside, 98%" "4-Aminophenyl ¦Â-D-glucopyranos…

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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) -1.25 -6.8 -11 6 7 0 125 271.269 3 ↓

Analogs

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Popular Name: 4-Aminophenyl beta-D-glucopyranoside 4-Aminophenyl beta-D-glucopyrano…

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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) -1.25 -11.6 -8.23 6 7 0 125 271.269 3 ↓

Analogs

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Popular Name: 4-Aminophenyl b-D-mannopyranoside HCl 4-Aminophenyl b-D-mannopyranosid…

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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) -1.25 -6.72 -17.16 6 7 0 125 271.269 3 ↓

Analogs

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Popular Name: 4-Chlorophenacyl bromide 4-Chlorophenacyl bromide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 6.26 -7.22 0 1 0 17 233.492 2 ↓

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Popular Name: 3,5-Difluorobenzyl bromide 3,5-Difluorobenzyl bromide

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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 6.02 -3.12 0 0 0 0 207.017 1 ↓

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Popular Name: (1S)-(-)-alpha-Pinene (1S)-(-)-alpha-Pinene

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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) 3.54 6.7 -0.56 0 0 0 0 136.238 0 ↓

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Popular Name: (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (1R,5R)-2,6,6-Trimethylbicyclo[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) 3.54 6.7 -0.55 0 0 0 0 136.238 0 ↓

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