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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: 5-bromobenzo[b]thiophene 5-bromobenzo[b]thiophene

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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) 3.69 -0.24 -3.07 0 0 0 0 213.099 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: repirinast repirinast

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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 1.83 -7.65 1 6 0 89 355.39 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-Tribromoethanol 2,2,2-Tribromoethanol

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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) 1.92 1.02 -2.97 1 1 0 20 282.757 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Bromo-5-fluorophenol 2-Bromo-5-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) 2.62 -0.71 -3.37 1 1 0 20 190.999 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromoacetyl)benzonitrile 3-(2-bromoacetyl)benzonitrile

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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) 1.93 6.1 -12.42 0 2 0 41 224.057 2 ↓

Analogs

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Popular Name: Tetrahydropyran-4-methanol Tetrahydropyran-4-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) 0.44 -0.25 -3.51 1 2 0 29 116.16 1 ↓

Analogs

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Popular Name: 1-NITROSO-2-NAPHTHOL 1-NITROSO-2-NAPHTHOL

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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) 2.73 4.13 -10.76 1 3 0 50 173.171 1 ↓
Ref Reference (pH 7) 2.06 4.35 -12.26 1 3 0 50 173.171 0 ↓
Hi High (pH 8-9.5) 2.06 5.59 -64.38 0 3 -1 52 172.163 0 ↓

Analogs

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Popular Name: 4-BROMO-3-HYDROXYPYRIDINE 4-BROMO-3-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
Ref Reference (pH 7) 1.38 0.53 -4.36 1 2 0 33 173.997 0 ↓
Lo Low (pH 4.5-6) 1.38 0.81 -35.95 2 2 1 34 175.005 0 ↓

Analogs

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Popular Name: 3-Bromo-2-hydroxybenzaldehyde 3-Bromo-2-hydroxybenzaldehyde

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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 2.13 -6.11 1 2 0 37 201.019 1 ↓

Analogs

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Popular Name: 3,4-Dihydroxy-5-methoxybenzaldehyde 3,4-Dihydroxy-5-methoxybenzaldehyde

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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 -0.79 -9.86 2 4 0 67 168.148 2 ↓

Analogs

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Popular Name: 2,4,6-Trichloroquinazoline 2,4,6-Trichloroquinazoline

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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) 3.99 5.34 -4.02 0 2 0 26 233.485 0 ↓

Analogs

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Popular Name: 3,5-Difluoro-4-chlorophenol 3,5-Difluoro-4-chlorophenol

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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) 2.32 2.25 -4.48 1 1 0 20 164.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-bromo-2-methylpropanoate methyl 2-bromo-2-methylpropanoate

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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 4.22 -3.95 0 2 0 26 181.029 2 ↓

Analogs

34583604
34583604

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 2-bromo-2-methylpropanoate Ethyl 2-bromo-2-methylpropanoate

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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 5.15 -3.8 0 2 0 26 195.056 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Bromoanthracene 9-Bromoanthracene

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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) 5.04 0.8 -5.81 0 0 0 0 257.13 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 4-hydroxybenzoate Methyl 4-hydroxybenzoate

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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) 1.63 2.31 -6.78 1 3 0 47 152.149 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Boc-4-(4-Benzyloxy-phenyl)-piperidine 1-Boc-4-(4-Benzyloxy-phenyl)-pip…

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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) 5.50 12.28 -8.55 0 4 0 39 367.489 6 ↓

Analogs

26522252
26522252
40164336
40164336
40164337
40164337

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Popular Name: 25-Hydroxyvitamin D2 25-Hydroxyvitamin D2

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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) 5.72 -0.47 -4.1 2 2 0 40 412.658 5 ↓

Analogs

40164336
40164336
40164337
40164337
6665108
6665108

Draw Identity 99% 90% 80% 70%

Popular Name: 25-Hydroxyvitamin D2 25-Hydroxyvitamin D2

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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) 5.72 11.16 -6.12 2 2 0 40 412.658 5 ↓

Analogs

4141343
4141343
34016950
34016950

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Popular Name: 1,3-ADAMANTANEDIOL 1,3-ADAMANTANEDIOL

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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) 1.48 -0.04 -4.09 2 2 0 40 168.236 0 ↓

Analogs

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Popular Name: 3-Iodo-2-propoxypyridine 3-Iodo-2-propoxypyridine

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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) 3.01 -1.18 -4.39 0 2 0 22 263.078 3 ↓
Lo Low (pH 4.5-6) 3.01 -0.59 -33.06 1 2 1 23 264.086 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pramoxine hydrochloride Pramoxine hydrochloride

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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) 3.64 5.8 -5.3 0 4 0 31 293.407 9 ↓

Analogs

4284429
4284429
4284430
4284430
36721209
36721209
42174967
42174967
42175582
42175582

Draw Identity 99% 90% 80% 70%

Popular Name: N-Ethyl-p-menthane-3-carboxamide N-Ethyl-p-menthane-3-carboxamide

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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) 3.83 0.97 -4.81 1 2 0 29 211.349 3 ↓

Analogs

4284430
4284430
36721209
36721209
42174967
42174967
42175582
42175582
42175584
42175584

Draw Identity 99% 90% 80% 70%

Popular Name: N-Ethyl-p-menthane-3-carboxamide N-Ethyl-p-menthane-3-carboxamide

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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) 3.83 0.11 -6.89 1 2 0 29 211.349 3 ↓

Analogs

36721209
36721209
42174967
42174967
42175582
42175582
42175584
42175584
4284428
4284428

Draw Identity 99% 90% 80% 70%

Popular Name: N-Ethyl-p-menthane-3-carboxamide N-Ethyl-p-menthane-3-carboxamide

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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) 3.83 0.3 -5.34 1 2 0 29 211.349 3 ↓

Analogs

4284428
4284428
4284429
4284429
4284430
4284430
36721209
36721209
42174967
42174967

Draw Identity 99% 90% 80% 70%

Popular Name: N-Ethyl-p-menthane-3-carboxamide N-Ethyl-p-menthane-3-carboxamide

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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) 3.83 0.18 -6.75 1 2 0 29 211.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Chloro-2-fluoropyridine 3-Chloro-2-fluoropyridine

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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 3.17 -6.21 0 1 0 13 131.537 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methylbiphenyl 2-Methylbiphenyl

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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) 4.13 8.57 -3.12 0 0 0 0 168.239 1 ↓

Analogs

15776086
15776086

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Popular Name: Ethyl 3-phenylbut-2-enoate Ethyl 3-phenylbut-2-enoate

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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 2.83 -4.25 0 2 0 26 190.242 4 ↓

Analogs

34321321
34321321
34583870
34583870

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Popular Name: 3-Acetyl-5-bromopyridine 3-Acetyl-5-bromopyridine

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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) 1.56 3.71 -6.1 0 2 0 30 200.035 1 ↓

Analogs

43464037
43464037

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 6,7-Dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate tert-butyl 6,7-Dihydro-1H-pyrazo…

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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) 1.36 4.09 -9.23 1 5 0 58 223.276 2 ↓
Ref Reference (pH 7) 1.36 4.06 -7.93 1 5 0 58 223.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 4-imidazolecarboxylate Methyl 4-imidazolecarboxylate

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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) 0.00 2.7 -11.2 1 4 0 55 126.115 2 ↓
Lo Low (pH 4.5-6) 0.00 3.17 -39.81 2 4 1 56 127.123 2 ↓

Analogs

1530818
1530818

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Popular Name: Perylene Perylene

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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) 5.99 11.83 -9.62 0 0 0 0 252.316 0 ↓

Analogs

519824
519824
898438
898438
898659
898659
1704333
1704333
338130
338130

Draw Identity 99% 90% 80% 70%

Popular Name: Magnoflorine Magnoflorine

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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 7.59 -46.57 2 5 1 59 342.415 2 ↓

Analogs

16697986
16697986

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Popular Name: (R)-5-hydroxypiperidin-2-one (R)-5-hydroxypiperidin-2-one

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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 -2.47 -7.98 2 3 0 49 115.132 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-5-(trifluoromethyl)benzyl alcohol 2-Chloro-5-(trifluoromethyl)benz…

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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 0.84 -3.92 1 1 0 20 210.582 2 ↓

Analogs

3944690
3944690

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Popular Name: 6-Methyleneandrost-4-ene-3,17-dione 6-Methyleneandrost-4-ene-3,17-dione

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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) 3.37 9.74 -10.94 0 2 0 34 298.426 0 ↓

Analogs

39342159
39342159

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Popular Name: 2-(4,6-Dichloropyrimidin-5-yl)acetaldehyde 2-(4,6-Dichloropyrimidin-5-yl)ac…

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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 3.71 -5.69 0 3 0 43 191.017 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Benzoyl-1,3-dihydro-indol-2-one 7-Benzoyl-1,3-dihydro-indol-2-one

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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) 2.52 -0.08 -10.88 1 3 0 46 237.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-TERT-BUTYLBENZALDEHYDE 4-TERT-BUTYLBENZALDEHYDE

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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) 3.43 2.76 -6.02 0 1 0 17 162.232 2 ↓

Analogs

1712644
1712644
5854816
5854816

Draw Identity 99% 90% 80% 70%

Popular Name: Diethyl methylmalonate Diethyl methylmalonate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.87 -9.94 0 4 0 53 174.196 6 ↓

Analogs

12407818
12407818
16991360
16991360
552
552

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Popular Name: 3a,4,7,7a-Tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 3a,4,7,7a-Tetrahydro-1H-4,7-meth…

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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) 0.60 -1.69 -6.5 1 3 0 46 163.176 0 ↓

Analogs

32005640
32005640
32005643
32005643
34450841
34450841

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Popular Name: 2-Methyl-1-phenyl-2-propanol 2-Methyl-1-phenyl-2-propanol

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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 -0.48 -3.4 1 1 0 20 150.221 2 ↓

Analogs

6091046
6091046

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Popular Name: 5-Fluorocytosine 5-Fluorocytosine

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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) -0.43 -1.86 -13.91 3 4 0 72 129.094 0 ↓

Analogs

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Popular Name: Butyl 2-oxoacetate Butyl 2-oxoacetate

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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 4.49 -8.82 0 3 0 43 130.143 5 ↓

Analogs

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Popular Name: 3,5-Dichloro-4-fluorobenzonitrile 3,5-Dichloro-4-fluorobenzonitrile

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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) 3.07 5.93 -4 0 1 0 24 190.004 0 ↓

Analogs

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Popular Name: 2-Fluoro-4-methoxybenzoyl chloride 2-Fluoro-4-methoxybenzoyl 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) 2.54 4.15 -6.4 0 2 0 26 188.585 2 ↓

Analogs

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Popular Name: Dimethyl fluoromalonate Dimethyl fluoromalonate

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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 3.5 -9.58 0 4 0 53 150.105 4 ↓

Analogs

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Popular Name: 2-Butoxyethanol 2-Butoxyethanol

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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) 1.01 0.61 -4.56 1 2 0 29 118.176 5 ↓

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Popular Name: Diethyl adipate Diethyl adipate

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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 7.14 -7.78 0 4 0 53 202.25 9 ↓

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page.num = 1
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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'boerchembb' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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