Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6ro769d7oa8f1ek9ugg8oircm4, 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: 2-(5-bromo-2-furyl)-1H-imidazole-4-carboxylic 2-(5-bromo-2-furyl)-1H-imidazole…

Find On: PubMed — Wikipedia — Google

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) 1.93 4.25 -50.3 1 5 -1 82 256.035 2 ↓
Lo Low (pH 4.5-6) 1.93 4.67 -36.65 2 5 0 83 257.043 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-2-furyl)-1H-imidazole-4-carboxylic 2-(5-methyl-2-furyl)-1H-imidazol…

Find On: PubMed — Wikipedia — Google

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) 1.22 4.34 -54.62 1 5 -1 82 191.166 2 ↓
Lo Low (pH 4.5-6) 1.22 4.77 -35.21 2 5 0 83 192.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-1H-imidazole-4-carboxylic 2-(2-furyl)-1H-imidazole-4-carbo…

Find On: PubMed — Wikipedia — Google

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) 1.00 3.52 -55.08 1 5 -1 82 177.139 2 ↓
Lo Low (pH 4.5-6) 1.00 3.95 -35.76 2 5 0 83 178.147 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dibromo-2-furyl)-1H-imidazole-4-carboxylic 2-(4,5-dibromo-2-furyl)-1H-imida…

Find On: PubMed — Wikipedia — Google

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) 2.66 4.84 -48.54 1 5 -1 82 334.931 2 ↓
Lo Low (pH 4.5-6) 2.66 5.26 -35.07 2 5 0 83 335.939 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 1.25 3.57 -10.31 1 5 0 68 192.174 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 2.92 4.89 -7.58 1 5 0 68 349.966 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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) 2.19 4.29 -8.14 1 5 0 68 271.07 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

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 4.39 -9.96 1 5 0 68 206.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-furyl)-1H-imidazol-4-yl]acetic 2-[2-(2-furyl)-1H-imidazol-4-yl]…

Find On: PubMed — Wikipedia — Google

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) 0.85 4.66 -39.64 2 5 0 83 192.174 3 ↓
Mid Mid (pH 6-8) 0.85 4.37 -56.46 1 5 -1 82 191.166 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-2-(2-furyl)-1H-imidazole 4-(chloromethyl)-2-(2-furyl)-1H-…

Find On: PubMed — Wikipedia — Google

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) 2.00 4.19 -8.84 1 3 0 42 182.61 2 ↓
Lo Low (pH 4.5-6) 2.00 4.62 -30.5 2 3 1 43 183.618 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-furyl)-1H-imidazol-4-yl]methanamine [2-(2-furyl)-1H-imidazol-4-yl]me…

Find On: PubMed — Wikipedia — Google

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 0.98 -45.29 4 4 1 69 164.188 2 ↓
Hi High (pH 8-9.5) 0.61 0.55 -7.56 3 4 0 68 163.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-furyl)-1H-imidazol-4-yl]-N-methyl-methanamine 1-[2-(2-furyl)-1H-imidazol-4-yl]…

Find On: PubMed — Wikipedia — Google

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) 0.98 2.85 -40.27 3 4 1 58 178.215 3 ↓
Hi High (pH 8-9.5) 0.98 1.4 -7.51 2 4 0 54 177.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]ethanamine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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) 1.36 3.71 -39.45 3 4 1 58 192.242 4 ↓
Hi High (pH 8-9.5) 1.36 2.33 -7.29 2 4 0 54 191.234 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]propan-1-amine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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) 1.86 4.46 -40.21 3 4 1 58 206.269 5 ↓
Hi High (pH 8-9.5) 1.86 3.09 -7.17 2 4 0 54 205.261 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]propan-2-amine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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 4.23 -37.57 3 4 1 58 206.269 4 ↓
Hi High (pH 8-9.5) 1.66 3 -7.07 2 4 0 54 205.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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) 2.17 4.66 -36.27 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 2.17 3.41 -7 2 4 0 54 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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) 2.10 5.16 -40.03 3 4 1 58 220.296 5 ↓
Hi High (pH 8-9.5) 2.10 3.93 -6.93 2 4 0 54 219.288 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-furyl)-1H-imidazol-4-yl]methyl]-2-methoxy-ethanamine N-[[2-(2-furyl)-1H-imidazol-4-yl…

Find On: PubMed — Wikipedia — Google

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) 0.97 2.85 -40.85 3 5 1 68 222.268 6 ↓
Hi High (pH 8-9.5) 0.97 1.48 -9.17 2 5 0 63 221.26 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-furyl)-5-methyl-1H-imidazol-4-yl]ethanone 1-[2-(2-furyl)-5-methyl-1H-imida…

Find On: PubMed — Wikipedia — Google

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) 1.54 4.17 -7.96 1 4 0 59 190.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-(5-methyl-2-furyl)imidazol-1-yl]-4-methylsulfanyl-butan-1-ol (2S)-2-[2-(5-methyl-2-furyl)imid…

Find On: PubMed — Wikipedia — Google

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) 1.62 5.51 -12.38 1 4 0 51 266.366 6 ↓
Mid Mid (pH 6-8) 1.62 5.95 -29.86 2 4 1 52 267.374 6 ↓

Parameters Provided:

ring.id = 17885
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 17885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=17885&filter.purchasability=annotated

Embed Link to Results