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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: 6-Fluoro-4-chromanone oxime 6-Fluoro-4-chromanone oxime

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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 2.17 -7.29 1 3 0 42 181.166 0 ↓

Analogs

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Popular Name: 2-Fluoro-5-trifluoromethyl-pyrazine 2-Fluoro-5-trifluoromethyl-pyrazine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 1.84 -3.95 0 2 0 26 166.077 1 ↓

Analogs

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Popular Name: N-Ethyl-4-methoxybenzimine N-Ethyl-4-methoxybenzimine

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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) 2.21 4.71 -34.24 1 2 1 23 164.228 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Bromo-1-indanone oxime 5-Bromo-1-indanone oxime

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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 3.97 -4.87 1 2 0 33 226.073 0 ↓

Analogs

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Popular Name: 4'-Methoxy-3',5'-dimethylacetophenone oxime 4'-Methoxy-3',5'-dimethylacetoph…

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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 3.59 -6.86 1 3 0 42 193.246 2 ↓

Analogs

33722963
33722963
36777589
36777589
37039585
37039585
37116428
37116428
37116431
37116431

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Bis-pyridin-2-ylmethyl-piperazine 1,4-Bis-pyridin-2-ylmethyl-piper…

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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) 0.69 5.66 -35.29 1 4 1 33 269.372 4 ↓
Mid Mid (pH 6-8) 0.69 3.35 -7.36 0 4 0 32 268.364 4 ↓
Mid Mid (pH 6-8) 0.69 4.58 -32.99 1 4 1 34 269.372 4 ↓

Analogs

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Popular Name: Ferrocenecarboxylic acid Ferrocenecarboxylic 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

Analogs

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Popular Name: N-Methyl-4-methoxybenzimine N-Methyl-4-methoxybenzimine

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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 3.84 -34.68 1 2 1 23 150.201 2 ↓

Analogs

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Popular Name: 2-Iodo-5-methylbenzotrifluoride 2-Iodo-5-methylbenzotrifluoride

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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) 4.29 7.07 -3.43 0 0 0 0 286.034 1 ↓

Analogs

21801778
21801778
21806482
21806482
5370738
5370738

Draw Identity 99% 90% 80% 70%

Popular Name: 4'-Benzyloxyacetophenone oxime 4'-Benzyloxyacetophenone oxime

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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) 3.55 6.16 -7.53 1 3 0 42 241.29 4 ↓
Ref Reference (pH 7) 3.55 6.16 -6.98 1 3 0 42 241.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-Bromo-2-ethyl-6-methyl-phenyl)-acetic acid methyl ester (4-Bromo-2-ethyl-6-methyl-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 8.26 -6.11 0 2 0 26 271.154 4 ↓

Analogs

34542608
34542608
39564223
39564223
39564224
39564224

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Methylphenyl)piperazine 2-(4-Methylphenyl)piperazine

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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) 1.42 4.5 -120.61 4 2 2 33 178.279 1 ↓
Hi High (pH 8-9.5) 1.42 3.15 -36.54 3 2 1 29 177.271 1 ↓
Hi High (pH 8-9.5) 1.42 1.85 -2.37 2 2 0 24 176.263 1 ↓

Analogs

39564223
39564223
39564224
39564224

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Methylphenyl)piperazine 2-(4-Methylphenyl)piperazine

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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) 1.42 4.5 -120.6 4 2 2 33 178.279 1 ↓
Hi High (pH 8-9.5) 1.42 3.16 -35.02 3 2 1 29 177.271 1 ↓
Hi High (pH 8-9.5) 1.42 2.04 -2.21 2 2 0 24 176.263 1 ↓

Analogs

39295281
39295281

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Chloro-4-hydroxypyrimidine 6-Chloro-4-hydroxypyrimidine

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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 -0.49 -36.92 0 3 -1 49 129.526 0 ↓
Mid Mid (pH 6-8) 0.48 0.61 -15.3 1 3 0 46 130.534 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Hydroxy-2-nitropyridine 5-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) 0.95 2.3 -30.64 0 5 -1 82 139.09 1 ↓
Mid Mid (pH 6-8) 0.95 1.57 -10.71 1 5 0 79 140.098 1 ↓
Lo Low (pH 4.5-6) 0.95 1.8 -37.83 2 5 1 80 141.106 1 ↓

Analogs

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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: 2-Hydroxy-5-trifluoromethylbenzonitrile 2-Hydroxy-5-trifluoromethylbenzo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 3.84 -34.05 0 2 -1 47 186.112 1 ↓
Lo Low (pH 4.5-6) 2.50 3.07 -7.11 1 2 0 44 187.12 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-4,4-Difluoropyrrolidine-2-carboxylic acid 2,2,2-trifluoroacetic acid (S)-4,4-Difluoropyrrolidine-2-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) -1.35 1.63 -41.26 2 3 0 57 151.112 1 ↓
Hi High (pH 8-9.5) -1.35 0.38 -43.82 1 3 -1 52 150.104 1 ↓

Analogs

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Popular Name: DEHYDROACETIC ACID DEHYDROACETIC 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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ranolazine Ranolazine

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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 6.74 -46.91 3 7 1 75 428.553 9 ↓
Mid Mid (pH 6-8) 1.92 4.54 -14.78 2 7 0 74 427.545 9 ↓
Mid Mid (pH 6-8) 1.92 6.89 -46.27 3 7 1 75 428.553 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ranolazine Ranolazine

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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 6.81 -48.71 3 7 1 75 428.553 9 ↓
Mid Mid (pH 6-8) 1.92 6.92 -48.11 3 7 1 75 428.553 9 ↓
Mid Mid (pH 6-8) 1.92 4.61 -16.16 2 7 0 74 427.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Gatifloxacin Gatifloxacin

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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) -0.04 7.83 -63.43 1 7 -1 87 374.392 4 ↓
Mid Mid (pH 6-8) -0.04 7.05 -52.32 3 7 1 88 376.408 4 ↓
Mid Mid (pH 6-8) -2.78 7.73 -77.5 3 7 1 94 376.408 3 ↓

Analogs

34573953
34573953
34596312
34596312
44700228
44700228
44712575
44712575
44712592
44712592

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one 1,3-Dihydro-2H-pyrrolo[2,3-b]pyr…

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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) 1.17 0.13 -7.38 2 3 0 49 134.138 0 ↓
Ref Reference (pH 7) 0.21 2.17 -8.45 1 3 0 42 134.138 0 ↓
Mid Mid (pH 6-8) 1.17 0.9 -43.35 1 3 -1 52 133.13 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-((2-Isopropyl-1H-imidazol-1-yl)methyl)aniline dihydrochloride 3-((2-Isopropyl-1H-imidazol-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) 1.79 6.74 -29.19 3 3 1 45 216.308 3 ↓
Mid Mid (pH 6-8) 1.79 6.28 -8.91 2 3 0 44 215.3 3 ↓

Analogs

34428885
34428885
34963061
34963061
34963063
34963063
34963081
34963081
34963082
34963082

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Benzylpiperidin-3-amine hydrochloride 1-Benzylpiperidin-3-amine hydroc…

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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 5.48 -114.52 4 2 2 32 192.306 2 ↓
Hi High (pH 8-9.5) 1.01 3.26 -43.28 3 2 1 31 191.298 2 ↓
Lo Low (pH 4.5-6) 1.01 5.16 -32.63 3 2 1 30 191.298 2 ↓

Analogs

34428885
34428885
34963081
34963081
34963082
34963082
36373244
36373244
31993135
31993135

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Benzylpiperidin-3-amine hydrochloride 1-Benzylpiperidin-3-amine hydroc…

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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 5.48 -114.51 4 2 2 32 192.306 2 ↓
Hi High (pH 8-9.5) 1.01 3.26 -43.31 3 2 1 31 191.298 2 ↓
Lo Low (pH 4.5-6) 1.01 5.16 -32.72 3 2 1 30 191.298 2 ↓

Analogs

34219725
34219725

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Popular Name: 1-Benzhydrylazetidin-3-amine 1-Benzhydrylazetidin-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
Ref Reference (pH 7) 2.24 8.11 -126.36 4 2 2 32 240.35 3 ↓
Hi High (pH 8-9.5) 2.24 5.14 -3.73 2 2 0 29 238.334 3 ↓
Mid Mid (pH 6-8) 2.24 5.59 -43.57 3 2 1 31 239.342 3 ↓

Analogs

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Popular Name: 5-Azaindole-2-carboxylic acid 5-Azaindole-2-carboxylic 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

Analogs

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Popular Name: Methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride Methyl 1-benzyl-4-oxo-3-piperidi…

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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: 2-Bromo-3-chloro-5-hydroxypyridine 2-Bromo-3-chloro-5-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) 2.40 1.97 -17.33 1 2 0 37 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 0.72 -7.53 1 2 0 33 208.442 0 ↓
Mid Mid (pH 6-8) 2.40 1.51 -32.02 0 2 -1 36 207.434 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl (S)-2-amino-4-phenylbutanoate hydrochloride Ethyl (S)-2-amino-4-phenylbutano…

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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 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide Methyl 2-methyl-4-hydroxy-2H-1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Analogs

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Popular Name: 2-Chloro-3-(2-methoxyethylamino)naphthalene-1,4-dione 2-Chloro-3-(2-methoxyethylamino)…

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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) 1.31 4.18 -7.77 0 4 0 56 265.696 3 ↓
Mid Mid (pH 6-8) 1.31 3.54 -8.62 0 4 0 56 265.696 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Methyl-2-trifluoromethylpyrimidin-4-ol 6-Methyl-2-trifluoromethylpyrimi…

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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) 0.90 2.13 -6.88 1 3 0 46 178.113 1 ↓
Mid Mid (pH 6-8) 1.36 1.16 -35.51 0 3 -1 49 177.105 1 ↓
Lo Low (pH 4.5-6) 0.90 1.58 -16.49 1 3 0 46 178.113 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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
Ref Reference (pH 7) -0.08 1.39 -104.11 4 2 2 33 116.208 1 ↓
Mid Mid (pH 6-8) -0.08 0.15 -35.27 3 2 1 29 115.2 1 ↓
Lo Low (pH 4.5-6) -0.08 0.04 -35.21 3 2 1 29 115.2 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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
Ref Reference (pH 7) -0.08 1.39 -104.07 4 2 2 33 116.208 1 ↓
Mid Mid (pH 6-8) -0.08 0.12 -36.88 3 2 1 29 115.2 1 ↓
Lo Low (pH 4.5-6) -0.08 0.04 -34.72 3 2 1 29 115.2 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 3-(4-Methyl-1H-imidazol-1-yl)-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

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Popular Name: Piperazine-2-carboxylic acid dihydrochloride Piperazine-2-carboxylic acid dih…

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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-[Bis(4-fluorophenyl)methyl]-4-(4-nitrobenzyl)piperazine 1-[Bis(4-fluorophenyl)methyl]-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) 5.10 14.52 -62.52 1 5 1 53 424.471 6 ↓
Mid Mid (pH 6-8) 5.10 12.26 -9.58 0 5 0 52 423.463 6 ↓
Mid Mid (pH 6-8) 5.10 13.87 -55.14 1 5 1 53 424.471 6 ↓

Analogs

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Popular Name: 1-Benzyl-4-(4-nitrobenzyl)piperazine 1-Benzyl-4-(4-nitrobenzyl)pipera…

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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 10 -52.97 1 5 1 53 312.393 5 ↓
Mid Mid (pH 6-8) 2.99 10.06 -47.08 1 5 1 53 312.393 5 ↓
Mid Mid (pH 6-8) 2.99 7.68 -7.33 0 5 0 52 311.385 5 ↓

Analogs

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Popular Name: 2-naphthalen-1-yl-piperazine 2-naphthalen-1-yl-piperazine

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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) 2.13 6 -129.26 4 2 2 33 214.312 1 ↓
Hi High (pH 8-9.5) 2.13 3.36 -3.77 2 2 0 24 212.296 1 ↓
Hi High (pH 8-9.5) 2.13 4.66 -40.05 3 2 1 29 213.304 1 ↓

Analogs

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Popular Name: 2-naphthalen-1-yl-piperazine 2-naphthalen-1-yl-piperazine

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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) 2.13 5.96 -129.41 4 2 2 33 214.312 1 ↓
Hi High (pH 8-9.5) 2.13 3.62 -3.58 2 2 0 24 212.296 1 ↓
Hi High (pH 8-9.5) 2.13 4.63 -38.49 3 2 1 29 213.304 1 ↓

Analogs

43905930
43905930
43905934
43905934
43908738
43908738
43908742
43908742

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Popular Name: 2-(2,5-Dimethoxyphenyl)piperazine 2-(2,5-Dimethoxyphenyl)piperazine

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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) 1.02 2.54 -116.24 4 4 2 52 224.304 3 ↓
Hi High (pH 8-9.5) 1.02 1.18 -35.4 3 4 1 47 223.296 3 ↓
Hi High (pH 8-9.5) 1.02 -0.11 -4.85 2 4 0 43 222.288 3 ↓

Analogs

43905930
43905930
43905934
43905934
43908738
43908738
43908742
43908742

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Popular Name: 2-(2,5-Dimethoxyphenyl)piperazine 2-(2,5-Dimethoxyphenyl)piperazine

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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) 1.02 2.57 -116.33 4 4 2 52 224.304 3 ↓
Hi High (pH 8-9.5) 1.02 0.22 -5.21 2 4 0 43 222.288 3 ↓
Hi High (pH 8-9.5) 1.02 1.22 -34.43 3 4 1 47 223.296 3 ↓

Analogs

34040493
34040493
37078444
37078444
37078445
37078445

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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
Ref Reference (pH 7) 2.39 7.97 -110.02 3 2 2 21 220.36 3 ↓
Mid Mid (pH 6-8) 2.39 6.67 -32.17 2 2 1 16 219.352 3 ↓

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Popular Name: 5-Bromo-2-nitrophenol 5-Bromo-2-nitrophenol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 4.83 -39.11 0 4 -1 69 216.998 1 ↓
Lo Low (pH 4.5-6) 2.41 3.8 -10.66 1 4 0 66 218.006 1 ↓

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Popular Name: 3-Cyano-1,2,4-Triazole 3-Cyano-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
Ref Reference (pH 7) -0.75 1.72 -29.42 0 4 -1 64 93.069 0 ↓
Ref Reference (pH 7) -0.75 1.74 -29.33 0 4 -1 64 93.069 0 ↓
Ref Reference (pH 7) -0.75 1.83 -29 0 4 -1 64 93.069 0 ↓

Analogs

39134315
39134315
39248924
39248924

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Popular Name: Quinoxalin-5-ol Quinoxalin-5-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
Ref Reference (pH 7) 1.47 2.04 -39.94 0 3 -1 49 145.141 0 ↓
Mid Mid (pH 6-8) 1.47 1.19 -8.97 1 3 0 46 146.149 0 ↓

Analogs

21298676
21298676

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Popular Name: 2-Chloro-5-hydroxypyrimidine 2-Chloro-5-hydroxypyrimidine

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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 0.26 -31.84 0 3 -1 49 129.526 0 ↓
Mid Mid (pH 6-8) 0.94 -0.51 -6.34 1 3 0 46 130.534 0 ↓

Analogs

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Popular Name: 2-(2,4-Dichloro-5-fluorophenyl)piperazine 2-(2,4-Dichloro-5-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 4.86 -127.42 4 2 2 33 251.132 1 ↓
Hi High (pH 8-9.5) 2.35 2.21 -2.22 2 2 0 24 249.116 1 ↓
Hi High (pH 8-9.5) 2.35 3.56 -42.23 3 2 1 29 250.124 1 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = oakwood
filter.purchasability = purchasable

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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 'oakwood' 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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