Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_lk1543j2ppe1jht4p2nnvl6ki1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
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-Methylpurine 6-Methylpurine

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

Activity (Go SEA)

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) 0.04 3.68 -15.87 1 4 0 54 134.142 0 ↓

Analogs

34427657
34427657
34427717
34427717

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-6-methylquinoline 2-Chloro-6-methylquinoline

Find On: PubMed — Wikipedia — Google

Vendors

And 17 More

Activity (Go SEA)

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) 3.39 0.33 -6.32 0 1 0 12 177.634 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-3-methoxypyrazine 2-Amino-3-methoxypyrazine

Find On: PubMed — Wikipedia — Google

Vendors

And 25 More

Activity (Go SEA)

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 -1.78 -6.46 2 4 0 61 125.131 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Indazole-3-carboxaldehyde 1H-Indazole-3-carboxaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 33 More

Activity (Go SEA)

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) 1.66 2.89 -8.44 1 3 0 46 146.149 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloro-6-methoxybenzonitrile 2-Chloro-6-methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

Vendors

And 20 More

Activity (Go SEA)

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) 2.33 4.64 -9.15 0 2 0 33 167.595 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine 3-bromo-4-chloro-1H-pyrrolo[2,3-…

Find On: PubMed — Wikipedia — Google

Vendors

And 35 More

Activity (Go SEA)

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) 2.60 4.85 -6.67 1 2 0 29 231.48 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Methyl-1H-indazole-3-carbaldehyde 7-Methyl-1H-indazole-3-carbaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 16 More

Activity (Go SEA)

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) 2.06 3.57 -10.14 1 3 0 46 160.176 1 ↓
Ref Reference (pH 7) 2.06 3.51 -8.37 1 3 0 46 160.176 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-6-methyl-7-azaindol 4-Bromo-6-methyl-7-azaindol

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

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) 2.44 5.01 -6.67 1 2 0 29 211.062 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Bromo-4-azaindole 5-Bromo-4-azaindole

Find On: PubMed — Wikipedia — Google

Vendors

And 16 More

Activity (Go SEA)

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 3.2 -9.19 1 2 0 29 197.035 0 ↓
Lo Low (pH 4.5-6) 2.41 3.47 -25.97 2 2 1 30 198.043 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-3-chloro-1H-indazole 4-Bromo-3-chloro-1H-indazole

Find On: PubMed — Wikipedia — Google

Vendors

And 21 More

Activity (Go SEA)

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 4.09 -6.32 1 2 0 29 231.48 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Bromo-1-methylindazole 7-Bromo-1-methylindazole

Find On: PubMed — Wikipedia — Google

Vendors

And 28 More

Activity (Go SEA)

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) 2.46 4.85 -6.46 0 2 0 18 211.062 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-(trifluoromethyl)pyrazole 3-methyl-5-(trifluoromethyl)pyra…

Find On: PubMed — Wikipedia — Google

Vendors

And 69 More

Activity (Go SEA)

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) 1.68 2.5 -3.53 1 2 0 29 150.103 1 ↓
Ref Reference (pH 7) 1.68 2.5 -5.78 1 2 0 29 150.103 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Chloro-3-(trifluoromethyl)-1H-pyrazole 5-Chloro-3-(trifluoromethyl)-1H-…

Find On: PubMed — Wikipedia — Google

Vendors

And 14 More

Activity (Go SEA)

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) 2.26 2.32 -3.09 1 2 0 29 170.521 1 ↓
Ref Reference (pH 7) 2.25 2.34 -2.67 1 2 0 29 170.521 1 ↓
Hi High (pH 8-9.5) 2.25 2.19 -28.86 0 2 -1 27 169.513 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thiazole-5-carboxaldehyde Thiazole-5-carboxaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

Activity (Go SEA)

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 1.57 -8.36 0 2 0 30 113.141 1 ↓

Analogs

39593453
39593453

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Benzofuran-5-carbaldehyde 1-Benzofuran-5-carbaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 27 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.03 2.17 -9.62 0 2 0 30 146.145 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methylthiazole-5-carbaldehyde 2-Methylthiazole-5-carbaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 36 More

Activity (Go SEA)

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) 0.61 2.3 -8.49 0 2 0 30 127.168 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ethyl 2-bromothiazole-4-carboxylate Ethyl 2-bromothiazole-4-carboxylate

Find On: PubMed — Wikipedia — Google

Vendors

And 51 More

Activity (Go SEA)

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) 2.25 -0.41 -6.44 0 3 0 39 236.09 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Fluoro-4-iodobenzaldehyde 3-Fluoro-4-iodobenzaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 12 More

Activity (Go SEA)

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 5.36 -8.45 0 1 0 17 250.01 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1H-imidazol-1-yl)benzaldehyde 4-(1H-imidazol-1-yl)benzaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

Activity (Go SEA)

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) 1.06 6.62 -10.82 0 3 0 35 172.187 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methylpyrimidine-4-carbaldehyde 2-Methylpyrimidine-4-carbaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

Activity (Go SEA)

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) 0.13 2.15 -5.97 0 3 0 43 122.127 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Amino-6-chloro-2-(methylthio)pyrimidine 4-Amino-6-chloro-2-(methylthio)p…

Find On: PubMed — Wikipedia — Google

Vendors

And 39 More

Activity (Go SEA)

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) 2.11 -2.95 -5.68 2 3 0 52 175.644 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Chloropyridin-4-yl)methanol (2-Chloropyridin-4-yl)methanol

Find On: PubMed — Wikipedia — Google

Vendors

And 47 More

Activity (Go SEA)

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 0.47 -6.66 1 2 0 33 143.573 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyrimidine-5-carboxaldehyde Pyrimidine-5-carboxaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 54 More

Activity (Go SEA)

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) -0.38 2.28 -8.4 0 3 0 43 108.1 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Methylnicotinaldehyde 5-Methylnicotinaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 3.1 -8.5 0 2 0 30 121.139 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Amino-7-azaindole 5-Amino-7-azaindole

Find On: PubMed — Wikipedia — Google

Vendors

And 32 More

Activity (Go SEA)

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) 0.89 1.67 -7.63 3 3 0 55 133.154 0 ↓
Ref Reference (pH 7) 0.60 1.45 -13.13 2 3 0 51 133.154 0 ↓
Mid Mid (pH 6-8) 0.89 1.91 -27.74 4 3 1 56 134.162 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrrolo[2,3-b]pyridin-3-amine 1H-Pyrrolo[2,3-b]pyridin-3-amine

Find On: PubMed — Wikipedia — Google

Vendors

And 35 More

Activity (Go SEA)

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) 0.67 1.71 -6.81 3 3 0 55 133.154 0 ↓
Ref Reference (pH 7) 0.36 0.96 -33.39 3 3 1 53 134.162 0 ↓
Lo Low (pH 4.5-6) 0.36 1.42 -92.31 4 3 2 54 135.17 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 5-bromo-4-pyrimidinecarboxylate Methyl 5-bromo-4-pyrimidinecarbo…

Find On: PubMed — Wikipedia — Google

Vendors

And 18 More

Activity (Go SEA)

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) 1.04 3.65 -5.62 0 4 0 52 217.022 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Chloroisonicotinaldehyde 2-Chloroisonicotinaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 62 More

Activity (Go SEA)

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) 1.46 2.89 -9.91 0 2 0 30 141.557 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Phenyl-1,3-thiazole-5-carbaldehyde 2-Phenyl-1,3-thiazole-5-carbalde…

Find On: PubMed — Wikipedia — Google

Vendors

And 34 More

Activity (Go SEA)

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) 2.82 0.18 -9.05 0 2 0 30 189.239 2 ↓

Analogs

38437123
38437123

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl indole-5-carboxylate Methyl indole-5-carboxylate

Find On: PubMed — Wikipedia — Google

Vendors

And 57 More

Activity (Go SEA)

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) 2.31 5.17 -8.84 1 3 0 42 175.187 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Amino-5-chloropyrimidine 4-Amino-5-chloropyrimidine

Find On: PubMed — Wikipedia — Google

Vendors

And 17 More

Activity (Go SEA)

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 1.85 -3.84 2 3 0 52 129.55 0 ↓

Analogs

36532848
36532848

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Chloro-3-methylbenzaldehyde 4-Chloro-3-methylbenzaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

Activity (Go SEA)

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 1.77 -6.14 0 1 0 17 154.596 1 ↓

Analogs

39051513
39051513

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-5-methoxypyridine 2-Amino-5-methoxypyridine

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

Activity (Go SEA)

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 0.71 -6.52 2 3 0 48 124.143 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-3-methylpyridine 4-Bromo-3-methylpyridine

Find On: PubMed — Wikipedia — Google

Vendors

And 70 More

Activity (Go SEA)

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) 1.89 3.91 -3.11 0 1 0 13 172.025 0 ↓
Lo Low (pH 4.5-6) 1.89 4.19 -33.05 1 1 1 14 173.033 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 5-(1-piperidinyl)-2-pyrazinecarboxylate Methyl 5-(1-piperidinyl)-2-pyraz…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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) 1.44 5.1 -7.52 0 5 0 55 221.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 5-(4-morpholinyl)-2-pyrazinecarboxylate Methyl 5-(4-morpholinyl)-2-pyraz…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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) 0.37 2.67 -8.37 0 6 0 65 223.232 3 ↓

Analogs

32002508
32002508

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenyl-1H-pyrazole 4-phenyl-1H-pyrazole

Find On: PubMed — Wikipedia — Google

Vendors

And 19 More

Activity (Go SEA)

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) 2.04 -0.42 -6.31 1 2 0 28 144.177 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Thiazolecarboxaldehyde 2-Thiazolecarboxaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 62 More

Activity (Go SEA)

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) 0.39 1.36 -10.17 0 2 0 30 113.141 1 ↓

Analogs

32098861
32098861
34583936
34583936
34583937
34583937
39321081
39321081

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-2-benzofuran-1[3H]-one 4-Bromo-2-benzofuran-1[3H]-one

Find On: PubMed — Wikipedia — Google

Vendors

And 19 More

Activity (Go SEA)

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) 2.31 5.48 -7.4 0 2 0 26 213.03 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Bromo-5-(trifluoromethyl)benzaldehyde 2-Bromo-5-(trifluoromethyl)benza…

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

Activity (Go SEA)

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) 3.36 3.11 -6.01 0 1 0 17 253.017 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-Dimethoxyaniline 3,5-Dimethoxyaniline

Find On: PubMed — Wikipedia — Google

Vendors

And 50 More

Activity (Go SEA)

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) 1.06 0.96 -6.25 2 3 0 44 153.181 2 ↓

Analogs

36667212
36667212
36667275
36667275
36984665
36984665

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-Aminophenoxy)pyridine 4-(4-Aminophenoxy)pyridine

Find On: PubMed — Wikipedia — Google

Vendors

And 17 More

Activity (Go SEA)

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 3.46 -5.48 2 3 0 48 186.214 2 ↓

Analogs

34428300
34428300
34473291
34473291

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Boc-3-Hydroxypyrrolidine 1-Boc-3-Hydroxypyrrolidine

Find On: PubMed — Wikipedia — Google

Vendors

And 114 More

Activity (Go SEA)

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) 0.87 1.32 -7.88 1 4 0 50 187.239 2 ↓

Analogs

34428300
34428300
34473291
34473291

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Boc-3-Hydroxypyrrolidine 1-Boc-3-Hydroxypyrrolidine

Find On: PubMed — Wikipedia — Google

Vendors

And 116 More

Activity (Go SEA)

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) 0.87 1.31 -7.04 1 4 0 50 187.239 2 ↓

Analogs

34957361
34957361

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl tetrahydropyran-4-ylacetate ethyl tetrahydropyran-4-ylacetate

Find On: PubMed — Wikipedia — Google

Vendors

And 30 More

Activity (Go SEA)

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) 1.45 4.65 -5.29 0 3 0 36 172.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine 7-bromo-4-chloro-5H-pyrrolo[3,2-…

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

Activity (Go SEA)

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) 2.09 3.58 -7.96 1 3 0 42 232.468 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Bromo-2-fluoroanisole 5-Bromo-2-fluoroanisole

Find On: PubMed — Wikipedia — Google

Vendors

And 29 More

Activity (Go SEA)

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 4.49 -3.93 0 1 0 9 205.026 1 ↓

Analogs

38482147
38482147

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-2H-1,4-benzoxazin-3(4H)-one 7-fluoro-2H-1,4-benzoxazin-3(4H)…

Find On: PubMed — Wikipedia — Google

Vendors

And 28 More

Activity (Go SEA)

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 1.76 -7.37 1 3 0 38 167.139 0 ↓

Analogs

36754938
36754938
36785654
36785654
36785655
36785655
37092920
37092920

Draw Identity 99% 90% 80% 70%

Popular Name: 4-piperidin-1-yl-benzaldehyde 4-piperidin-1-yl-benzaldehyde

Find On: PubMed — Wikipedia — Google

Vendors

And 47 More

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 6.61 -6.99 0 2 0 20 189.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine 5-Trifluoromethyl-1H-pyrrolo[2,3…

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

Activity (Go SEA)

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) 2.14 4.76 -6.23 1 2 0 29 186.136 1 ↓

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

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 'novochemybb' 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

Permalink

//zinc12.docking.org/results/combination?catalog.name=novochemybb&filter.purchasability=purchasable

Embed Link to Results