Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_j17sq472cp6und6fmno6c43ms1, 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: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazol-5-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 1.59 7.43 -43.93 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.59 5.31 -7.56 2 4 0 47 256.353 1 ↓
Lo Low (pH 4.5-6) 1.59 7.92 -94.13 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazol-5-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 1.59 7.56 -44.95 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 1.59 5.43 -7.3 2 4 0 47 256.353 1 ↓
Lo Low (pH 4.5-6) 1.59 8.05 -93.41 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-benzimidazol-5-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 1.68 7.6 -44.41 3 4 1 48 271.388 1 ↓
Hi High (pH 8-9.5) 1.68 6.8 -8.72 2 4 0 47 270.38 1 ↓
Mid Mid (pH 6-8) 1.68 8.04 -88.81 4 4 2 50 272.396 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-benzimidazol-5-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 1.68 7.47 -46.25 3 4 1 48 271.388 1 ↓
Hi High (pH 8-9.5) 1.68 5.33 -8.08 2 4 0 47 270.38 1 ↓
Mid Mid (pH 6-8) 1.68 7.91 -86.37 4 4 2 50 272.396 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-ethyl-benzimidazol-5-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.25 8.22 -43.43 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.25 7.35 -9.09 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.25 8.7 -83.38 4 4 2 50 286.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-ethyl-benzimidazol-5-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.25 8.07 -46.34 3 4 1 48 285.415 2 ↓
Hi High (pH 8-9.5) 2.25 5.91 -7.77 2 4 0 47 284.407 2 ↓
Mid Mid (pH 6-8) 2.25 8.5 -85.35 4 4 2 50 286.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.35 9.69 -42.65 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 2.35 8.59 -8.55 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 2.35 10.16 -84.99 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.35 9.24 -45.33 3 4 1 48 257.361 1 ↓
Hi High (pH 8-9.5) 2.35 7.11 -7.09 2 4 0 47 256.353 1 ↓
Mid Mid (pH 6-8) 2.35 9.71 -88.17 4 4 2 50 258.369 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-chloro-benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.00 10.2 -44.53 3 4 1 48 291.806 1 ↓
Hi High (pH 8-9.5) 3.00 9.11 -7.98 2 4 0 47 290.798 1 ↓
Lo Low (pH 4.5-6) 3.00 10.67 -90.57 4 4 2 50 292.814 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-chloro-benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.00 9.75 -47.24 3 4 1 48 291.806 1 ↓
Hi High (pH 8-9.5) 3.00 7.6 -6.28 2 4 0 47 290.798 1 ↓
Lo Low (pH 4.5-6) 3.00 10.22 -93.69 4 4 2 50 292.814 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-fluoro-benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.48 9.76 -45.69 3 4 1 48 275.351 1 ↓
Hi High (pH 8-9.5) 2.48 8.66 -8.58 2 4 0 47 274.343 1 ↓
Mid Mid (pH 6-8) 2.48 10.23 -90.95 4 4 2 50 276.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-fluoro-benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.48 9.31 -48.45 3 4 1 48 275.351 1 ↓
Hi High (pH 8-9.5) 2.48 7.17 -6.9 2 4 0 47 274.343 1 ↓
Mid Mid (pH 6-8) 2.48 9.78 -94.11 4 4 2 50 276.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-7-chloro-benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.98 9.75 -39.36 3 4 1 48 291.806 1 ↓
Hi High (pH 8-9.5) 2.98 8.28 -6.44 2 4 0 47 290.798 1 ↓
Lo Low (pH 4.5-6) 2.98 10.22 -87.75 4 4 2 50 292.814 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-7-chloro-benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.98 9.57 -41.33 3 4 1 48 291.806 1 ↓
Hi High (pH 8-9.5) 2.98 7.42 -6.35 2 4 0 47 290.798 1 ↓
Lo Low (pH 4.5-6) 2.98 10.04 -87.05 4 4 2 50 292.814 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.77 10.36 -42.91 3 4 1 48 271.388 1 ↓
Hi High (pH 8-9.5) 2.77 9.26 -8.66 2 4 0 47 270.38 1 ↓
Mid Mid (pH 6-8) 2.77 10.83 -85.5 4 4 2 50 272.396 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-methyl-benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.77 9.91 -45.54 3 4 1 48 271.388 1 ↓
Hi High (pH 8-9.5) 2.77 7.77 -7.14 2 4 0 47 270.38 1 ↓
Mid Mid (pH 6-8) 2.77 10.38 -88.62 4 4 2 50 272.396 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-fluoro-benzimidazol-2-amine 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.46 9.76 -48.25 3 4 1 48 275.351 1 ↓
Hi High (pH 8-9.5) 2.46 8.67 -10.84 2 4 0 47 274.343 1 ↓
Lo Low (pH 4.5-6) 2.46 10.23 -89.81 4 4 2 50 276.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-fluoro-benzimidazol-2-amine 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.46 9.31 -50.23 3 4 1 48 275.351 1 ↓
Hi High (pH 8-9.5) 2.46 7.17 -9.49 2 4 0 47 274.343 1 ↓
Lo Low (pH 4.5-6) 2.46 9.78 -92.15 4 4 2 50 276.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-chloro-2-(chloromethyl)benzimidazole 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.88 10.85 -44.92 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.88 9.82 -7.46 0 3 0 21 324.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-chloro-2-(chloromethyl)benzimidazole 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.88 10.62 -46.8 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.88 8.49 -5.6 0 3 0 21 324.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-5-fluoro-benzimidazole 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.36 10.41 -46.12 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.36 9.38 -8.07 0 3 0 21 307.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-5-fluoro-benzimidazole 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.36 10.18 -48.01 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.36 8.05 -6.14 0 3 0 21 307.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-7-chloro-2-(chloromethyl)benzimidazole 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.85 10.6 -37.92 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.85 9.91 -6.18 0 3 0 21 324.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-7-chloro-2-(chloromethyl)benzimidazole 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.85 10.15 -40.68 1 3 1 22 325.263 2 ↓
Hi High (pH 8-9.5) 3.85 7.99 -5.67 0 3 0 21 324.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-5-methyl-benzimidazole 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.65 11.01 -43.18 1 3 1 22 304.845 2 ↓
Hi High (pH 8-9.5) 3.65 9.98 -8.08 0 3 0 21 303.837 2 ↓
Lo Low (pH 4.5-6) 3.65 11.45 -86.62 2 3 2 24 305.853 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-5-methyl-benzimidazole 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.65 10.8 -45.08 1 3 1 22 304.845 2 ↓
Hi High (pH 8-9.5) 3.65 8.65 -6.53 0 3 0 21 303.837 2 ↓
Lo Low (pH 4.5-6) 3.65 11.24 -87.97 2 3 2 24 305.853 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-4-fluoro-benzimidazole 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.34 10.4 -48.74 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.34 9.37 -10.35 0 3 0 21 307.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(chloromethyl)-4-fluoro-benzimidazole 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 3.34 10.17 -50.34 1 3 1 22 308.808 2 ↓
Hi High (pH 8-9.5) 3.34 8.03 -8.62 0 3 0 21 307.8 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazole-5-carboxylic 1-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.43 10.09 -86.4 1 5 0 62 285.347 2 ↓
Hi High (pH 8-9.5) 2.43 7.99 -53.92 0 5 -1 61 284.339 2 ↓
Lo Low (pH 4.5-6) 2.43 10.58 -117.64 2 5 1 64 286.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]benzimidazole-5-carboxylic 1-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 2.43 10.22 -86.85 1 5 0 62 285.347 2 ↓
Hi High (pH 8-9.5) 2.43 8.08 -53.15 0 5 -1 61 284.339 2 ↓
Lo Low (pH 4.5-6) 2.43 10.71 -117.56 2 5 1 64 286.355 2 ↓

Parameters Provided:

ring.id = 28465
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 = 28465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28465&filter.purchasability=annotated

Embed Link to Results