Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_pa7vfq3hsp190ntebe5ogmugk3, 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: (2S)-2-(5-chloro-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2S)-2-(5-chloro-2-thienyl)-2-[(…

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) 3.86 6.92 -43.3 4 3 1 56 324.882 4 ↓
Hi High (pH 8-9.5) 3.86 6.39 -6.5 3 3 0 55 323.874 4 ↓
Lo Low (pH 4.5-6) 3.86 7.14 -106.15 5 3 2 58 325.89 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-chloro-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2R)-2-(5-chloro-2-thienyl)-2-[(…

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) 3.86 6.82 -43.25 4 3 1 56 324.882 4 ↓
Hi High (pH 8-9.5) 3.86 6.48 -5.77 3 3 0 55 323.874 4 ↓
Lo Low (pH 4.5-6) 3.86 6.97 -109.21 5 3 2 58 325.89 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(5…

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) 3.99 7.02 -43.43 4 3 1 56 369.333 4 ↓
Hi High (pH 8-9.5) 3.99 6.49 -6.56 3 3 0 55 368.325 4 ↓
Lo Low (pH 4.5-6) 3.99 7.24 -106.38 5 3 2 58 370.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-bromo-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2R)-2-(5-bromo-2-thienyl)-2-[(5…

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) 3.99 6.92 -43.29 4 3 1 56 369.333 4 ↓
Hi High (pH 8-9.5) 3.99 6.58 -5.76 3 3 0 55 368.325 4 ↓
Lo Low (pH 4.5-6) 3.99 7.07 -109.47 5 3 2 58 370.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2R)-1-(4-bromo-2-thienyl)-1-…

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) 4.20 7.42 -46.07 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.20 7.1 -6.28 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.20 7.6 -97.44 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2R)-1-(4-bromo-2-thienyl)-1-…

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) 4.20 7.17 -40.78 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.20 6.86 -5.9 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.20 7.71 -94.08 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(4-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2S)-1-(4-bromo-2-thienyl)-1-…

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) 4.20 7.15 -40.66 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.20 6.88 -5.9 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.20 7.34 -100.95 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2S)-1-(4-bromo-2-thienyl)-1-…

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) 4.20 7.33 -46.18 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.20 7.01 -6.9 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.20 7.74 -95.07 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(2-thienyl)ethanamine (2S)-2-[(5-methyl-1H-benzimidazo…

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) 3.06 6.29 -40.42 4 3 1 56 290.437 4 ↓
Hi High (pH 8-9.5) 3.06 5.93 -6.45 3 3 0 55 289.429 4 ↓
Lo Low (pH 4.5-6) 3.06 6.51 -100.55 5 3 2 58 291.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(2-thienyl)ethanamine (2R)-2-[(5-methyl-1H-benzimidazo…

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) 3.06 6.2 -40.39 4 3 1 56 290.437 4 ↓
Hi High (pH 8-9.5) 3.06 5.83 -7.2 3 3 0 55 289.429 4 ↓
Lo Low (pH 4.5-6) 3.06 6.34 -103.68 5 3 2 58 291.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)propan-2-amine (1R,2R)-1-[(5-methyl-1H-benzimid…

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) 3.46 6.8 -43.77 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.46 6.48 -6.4 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.46 7.04 -92.49 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)propan-2-amine (1S,2R)-1-[(5-methyl-1H-benzimid…

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) 3.46 6.56 -38.8 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.46 6.26 -6.26 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.46 7.11 -89.1 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)propan-2-amine (1R,2S)-1-[(5-methyl-1H-benzimid…

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) 3.46 6.53 -38.66 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.46 6.27 -6.33 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.46 6.73 -96.99 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)propan-2-amine (1S,2S)-1-[(5-methyl-1H-benzimid…

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) 3.46 6.72 -43.86 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.46 6.4 -6.94 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.46 7.06 -92.58 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(5-methyl-2-thienyl)ethanamine (2S)-2-[(5-methyl-1H-benzimidazo…

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) 3.28 7.12 -40.29 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.28 6.77 -6.65 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.28 7.35 -100.54 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(5-methyl-2-thienyl)ethanamine (2R)-2-[(5-methyl-1H-benzimidazo…

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) 3.28 7.04 -40.2 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.28 6.65 -7.52 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.28 7.17 -103.81 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-methyl-2-thienyl)propan-2-amine (1R,2R)-1-[(5-methyl-1H-benzimid…

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) 3.84 7.39 -44.97 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.84 7.03 -6.65 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.84 7.59 -92.68 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-methyl-2-thienyl)propan-2-amine (1S,2R)-1-[(5-methyl-1H-benzimid…

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) 3.84 7.25 -39.07 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.84 6.99 -6.36 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.84 7.73 -89.04 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-methyl-2-thienyl)propan-2-amine (1R,2S)-1-[(5-methyl-1H-benzimid…

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) 3.84 7.19 -38.91 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.84 6.88 -6.43 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.84 7.38 -97.53 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3-methyl-2-thienyl)propan-2-amine (1S,2S)-1-[(5-methyl-1H-benzimid…

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) 3.84 7.26 -44.94 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.84 6.94 -6.56 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.84 7.62 -92.24 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2R)-1-(5-chloro-2-thienyl)-1…

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) 4.26 7.44 -46.2 4 3 1 56 338.909 4 ↓
Hi High (pH 8-9.5) 4.26 7.1 -5.96 3 3 0 55 337.901 4 ↓
Lo Low (pH 4.5-6) 4.26 7.61 -97.12 5 3 2 58 339.917 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2R)-1-(5-chloro-2-thienyl)-1…

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) 4.26 7.19 -41.56 4 3 1 56 338.909 4 ↓
Hi High (pH 8-9.5) 4.26 6.91 -5.63 3 3 0 55 337.901 4 ↓
Lo Low (pH 4.5-6) 4.26 7.73 -94.34 5 3 2 58 339.917 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(5-chloro-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2S)-1-(5-chloro-2-thienyl)-1…

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) 4.26 7.17 -41.43 4 3 1 56 338.909 4 ↓
Hi High (pH 8-9.5) 4.26 6.84 -5.55 3 3 0 55 337.901 4 ↓
Lo Low (pH 4.5-6) 4.26 7.36 -102.95 5 3 2 58 339.917 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2S)-1-(5-chloro-2-thienyl)-1…

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) 4.26 7.33 -46.31 4 3 1 56 338.909 4 ↓
Hi High (pH 8-9.5) 4.26 7.03 -5.76 3 3 0 55 337.901 4 ↓
Lo Low (pH 4.5-6) 4.26 7.75 -95.2 5 3 2 58 339.917 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2R)-1-(5-bromo-2-thienyl)-1-…

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) 4.39 7.54 -46.27 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.39 7.65 -5.36 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.39 7.72 -97.31 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2R)-1-(5-bromo-2-thienyl)-1-…

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) 4.39 7.29 -41.61 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.39 7.16 -5.61 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.39 7.83 -94.46 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1R,2S)-1-(5-bromo-2-thienyl)-1-…

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) 4.39 7.27 -41.47 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.39 7.47 -6.89 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.39 7.46 -103.19 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…

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) 4.39 7.45 -46.33 4 3 1 56 383.36 4 ↓
Hi High (pH 8-9.5) 4.39 7.49 -5.56 3 3 0 55 382.352 4 ↓
Lo Low (pH 4.5-6) 4.39 7.86 -95.41 5 3 2 58 384.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)butan-2-amine (1S,2S)-1-[(5-methyl-1H-benzimid…

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) 4.00 7.5 -42.89 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 4.00 7.32 -6.77 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 4.00 7.94 -89.34 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)butan-2-amine (1S,2R)-1-[(5-methyl-1H-benzimid…

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) 4.00 7.4 -37.9 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 4.00 7.32 -6.39 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 4.00 7.89 -97.86 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)butan-2-amine (1R,2S)-1-[(5-methyl-1H-benzimid…

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) 4.00 7.29 -38.34 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 4.00 7.29 -6.8 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 4.00 8.01 -93.06 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(2-thienyl)butan-2-amine (1R,2R)-1-[(5-methyl-1H-benzimid…

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) 4.00 7.56 -43.22 4 3 1 56 318.491 5 ↓
Hi High (pH 8-9.5) 4.00 7.35 -6.22 3 3 0 55 317.483 5 ↓
Lo Low (pH 4.5-6) 4.00 8.09 -85.62 5 3 2 58 319.499 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(5-methyl-2-thienyl)propan-2-amine (1R,2R)-1-[(5-methyl-1H-benzimid…

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) 3.68 7.64 -43.63 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.68 7.31 -6.67 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.68 7.88 -92.57 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(5-methyl-2-thienyl)propan-2-amine (1S,2R)-1-[(5-methyl-1H-benzimid…

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) 3.68 7.39 -38.62 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.68 7.09 -6.34 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.68 7.95 -88.97 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(5-methyl-2-thienyl)propan-2-amine (1R,2S)-1-[(5-methyl-1H-benzimid…

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) 3.68 7.37 -38.45 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.68 7.1 -6.55 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.68 7.56 -97.09 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(5-methyl-2-thienyl)propan-2-amine (1S,2S)-1-[(5-methyl-1H-benzimid…

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) 3.68 7.55 -43.7 4 3 1 56 318.491 4 ↓
Hi High (pH 8-9.5) 3.68 7.23 -7.15 3 3 0 55 317.483 4 ↓
Lo Low (pH 4.5-6) 3.68 7.89 -92.54 5 3 2 58 319.499 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-methyl-2-thienyl)ethanamine (2S)-2-[(5-methyl-1H-benzimidazo…

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) 3.43 6.82 -40.99 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.43 6.46 -6.53 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.43 7.06 -100.48 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-(3-methyl-2-thienyl)ethanamine (2R)-2-[(5-methyl-1H-benzimidazo…

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) 3.43 6.77 -40.73 4 3 1 56 304.464 4 ↓
Hi High (pH 8-9.5) 3.43 6.37 -7.31 3 3 0 55 303.456 4 ↓
Lo Low (pH 4.5-6) 3.43 6.91 -104.64 5 3 2 58 305.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(5…

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) 3.80 6.9 -42.44 4 3 1 56 369.333 4 ↓
Hi High (pH 8-9.5) 3.80 6.37 -7.24 3 3 0 55 368.325 4 ↓
Lo Low (pH 4.5-6) 3.80 7.12 -104.38 5 3 2 58 370.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromo-2-thienyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine (2R)-2-(4-bromo-2-thienyl)-2-[(5…

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) 3.80 6.81 -42.38 4 3 1 56 369.333 4 ↓
Hi High (pH 8-9.5) 3.80 6.47 -6.1 3 3 0 55 368.325 4 ↓
Lo Low (pH 4.5-6) 3.80 6.95 -107.63 5 3 2 58 370.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-thienyl]prop-2-yn-1-amine 3-[5-[(5-methyl-1H-benzimidazol-…

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) 3.20 7.57 -51.73 4 3 1 56 314.459 3 ↓
Mid Mid (pH 6-8) 3.20 7.17 -8.67 3 3 0 55 313.451 3 ↓
Lo Low (pH 4.5-6) 3.20 7.96 -82.2 5 3 2 58 315.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-thienyl]prop-2-yn-1-amine 3-[5-[(5-methyl-1H-benzimidazol-…

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) 3.51 7.35 -9.1 3 3 0 55 313.451 3 ↓
Mid Mid (pH 6-8) 3.51 7.75 -52.82 4 3 1 56 314.459 3 ↓
Lo Low (pH 4.5-6) 3.51 8.13 -83.3 5 3 2 58 315.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-thienyl]prop-2-yn-1-amine 3-[2-[(5-methyl-1H-benzimidazol-…

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) 3.20 7.53 -47.75 4 3 1 56 314.459 3 ↓
Mid Mid (pH 6-8) 3.20 7.12 -9.17 3 3 0 55 313.451 3 ↓
Lo Low (pH 4.5-6) 3.20 7.91 -87.92 5 3 2 58 315.467 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[(5-methyl-1H-benzimidazol-…

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) 3.76 6.86 -10.84 2 3 0 49 314.435 3 ↓
Lo Low (pH 4.5-6) 3.76 7.25 -32.42 3 3 1 50 315.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-thienyl]prop-2-yn-1-ol 3-[5-[(5-methyl-1H-benzimidazol-…

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) 4.07 7.04 -11.52 2 3 0 49 314.435 3 ↓
Lo Low (pH 4.5-6) 4.07 7.42 -33.26 3 3 1 50 315.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-thienyl]prop-2-yn-1-ol 3-[2-[(5-methyl-1H-benzimidazol-…

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) 3.76 6.82 -12.32 2 3 0 49 314.435 3 ↓
Lo Low (pH 4.5-6) 3.76 7.2 -30.6 3 3 1 50 315.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-2-thienyl)methylsulfanyl]-1-methyl-benzimidazole 2-[(5-bromo-2-thienyl)methylsulf…

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) 4.84 9.82 -7.59 0 2 0 18 339.283 3 ↓
Lo Low (pH 4.5-6) 4.84 10.27 -28.19 1 2 1 19 340.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-thienylmethylsulfanyl)-3H-benzimidazol-5-amine 2-(2-thienylmethylsulfanyl)-3H-b…

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) 2.89 5.28 -7.75 3 3 0 55 261.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-chloro-2-thienyl)methylsulfanyl]-3H-benzimidazol-5-amine 2-[(5-chloro-2-thienyl)methylsul…

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) 3.70 5.91 -6.92 3 3 0 55 295.82 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-2-thienyl)methylsulfanyl]-3H-benzimidazol-5-amine 2-[(5-bromo-2-thienyl)methylsulf…

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) 3.83 6.01 -6.95 3 3 0 55 340.271 3 ↓

Parameters Provided:

ring.id = 216375
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 = 216375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=216375&filter.purchasability=annotated

Embed Link to Results