Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_86i16pvjeduo7dvhrf973citk4, 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-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 1-[(4-methyl-1,2,4-triazol-3-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) -0.23 6.6 -18.92 2 6 0 75 228.259 2 ↓
Mid Mid (pH 6-8) -0.23 7.08 -45.58 3 6 1 76 229.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 2-methyl-1-[(4-methyl-1,2,4-tria…

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) -0.14 6.28 -19.62 2 6 0 75 242.286 2 ↓
Mid Mid (pH 6-8) -0.14 6.71 -39.53 3 6 1 76 243.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 2-ethyl-1-[(4-methyl-1,2,4-triaz…

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) 0.43 6.97 -17.78 2 6 0 75 256.313 3 ↓
Mid Mid (pH 6-8) 0.43 7.48 -32.14 3 6 1 76 257.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propyl-benzimidazol-5-amine 1-[(4-methyl-1,2,4-triazol-3-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) 0.93 7.75 -17.5 2 6 0 75 270.34 4 ↓
Mid Mid (pH 6-8) 0.93 8.26 -32.22 3 6 1 76 271.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 2-isopropyl-1-[(4-methyl-1,2,4-t…

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) 0.92 7.33 -17.14 2 6 0 75 270.34 3 ↓
Mid Mid (pH 6-8) 0.92 8.07 -30.75 3 6 1 76 271.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-5-amine 2-tert-butyl-1-[(4-methyl-1,2,4-…

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) 1.58 7.91 -17.75 2 6 0 75 284.367 3 ↓
Mid Mid (pH 6-8) 1.58 8.3 -30.33 3 6 1 76 285.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(4-methyl-1,2,4-triazol-3-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) 0.77 6.69 -19.67 2 6 0 75 296.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 1-[(1S)-1-(4-methyl-1,2,4-triazo…

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) 0.13 6.77 -17.47 2 6 0 75 242.286 2 ↓
Mid Mid (pH 6-8) 0.13 7.26 -31.68 3 6 1 76 243.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 1-[(1R)-1-(4-methyl-1,2,4-triazo…

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) 0.13 6.77 -17.55 2 6 0 75 242.286 2 ↓
Mid Mid (pH 6-8) 0.13 7.26 -31.59 3 6 1 76 243.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-(4-methyl-1,2…

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) 0.22 6.82 -19.46 2 6 0 75 256.313 2 ↓
Mid Mid (pH 6-8) 0.22 7.26 -37.23 3 6 1 76 257.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-(4-methyl-1,2…

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) 0.22 6.79 -19.29 2 6 0 75 256.313 2 ↓
Mid Mid (pH 6-8) 0.22 7.23 -37.23 3 6 1 76 257.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-(4-methyl-1,2,…

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) 0.79 7.39 -18.96 2 6 0 75 270.34 3 ↓
Mid Mid (pH 6-8) 0.79 7.87 -34.95 3 6 1 76 271.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-(4-methyl-1,2,…

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) 0.79 7.36 -18.49 2 6 0 75 270.34 3 ↓
Mid Mid (pH 6-8) 0.79 7.87 -34.87 3 6 1 76 271.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-1-(4-methyl-1,2,4-triazo…

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) 1.30 8.15 -18.16 2 6 0 75 284.367 4 ↓
Mid Mid (pH 6-8) 1.30 8.65 -34.56 3 6 1 76 285.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-1-(4-methyl-1,2,4-triazo…

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) 1.30 8.23 -18.15 2 6 0 75 284.367 4 ↓
Mid Mid (pH 6-8) 1.30 8.65 -34.46 3 6 1 76 285.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1S)-1-(4-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) 1.28 7.89 -18.12 2 6 0 75 284.367 3 ↓
Mid Mid (pH 6-8) 1.28 8.48 -32.77 3 6 1 76 285.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1R)-1-(4-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) 1.28 7.9 -18.11 2 6 0 75 284.367 3 ↓
Mid Mid (pH 6-8) 1.28 8.49 -32.74 3 6 1 76 285.375 3 ↓

Parameters Provided:

ring.id = 28274
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 = 28274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28274&filter.purchasability=annotated

Embed Link to Results