Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nc183q6er480tut9bbtnsuduq3, 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-[2-(3-thienyl)ethyl]benzimidazol-5-amine 1-[2-(3-thienyl)ethyl]benzimidaz…

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) 1.94 7.3 -9.8 2 3 0 44 243.335 3 ↓
Mid Mid (pH 6-8) 1.94 7.78 -33.55 3 3 1 45 244.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[2-(3-thienyl)ethyl]benzimidazol-5-amine 2-methyl-1-[2-(3-thienyl)ethyl]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) 2.03 7.1 -10.34 2 3 0 44 257.362 3 ↓
Mid Mid (pH 6-8) 2.03 7.54 -29.04 3 3 1 45 258.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[2-(3-thienyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(3-thienyl)ethyl]be…

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) 2.60 7.71 -9.99 2 3 0 44 271.389 4 ↓
Mid Mid (pH 6-8) 2.60 8 -27.56 3 3 1 45 272.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propyl-1-[2-(3-thienyl)ethyl]benzimidazol-5-amine 2-propyl-1-[2-(3-thienyl)ethyl]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) 3.10 8.48 -9.74 2 3 0 44 285.416 5 ↓
Mid Mid (pH 6-8) 3.10 8.78 -27.54 3 3 1 45 286.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[2-(3-thienyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[2-(3-thienyl)ethy…

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) 3.08 8.13 -9.6 2 3 0 44 285.416 4 ↓
Mid Mid (pH 6-8) 3.08 8.6 -26.04 3 3 1 45 286.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[2-(3-thienyl)ethyl]benzimidazol-5-amine 2-tert-butyl-1-[2-(3-thienyl)eth…

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) 3.75 8.3 -9.65 2 3 0 44 299.443 4 ↓
Mid Mid (pH 6-8) 3.75 8.69 -24.57 3 3 1 45 300.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-thienyl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[2-(3-thienyl)ethyl]-2-(triflu…

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) 2.94 7.31 -8.84 2 3 0 44 311.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 1-[(1S)-1-methyl-2-(3-thienyl)et…

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) 2.30 7.53 -9.29 2 3 0 44 257.362 3 ↓
Mid Mid (pH 6-8) 2.30 8.02 -32.42 3 3 1 45 258.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 1-[(1R)-1-methyl-2-(3-thienyl)et…

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) 2.30 7.49 -9.13 2 3 0 44 257.362 3 ↓
Mid Mid (pH 6-8) 2.30 7.97 -32.25 3 3 1 45 258.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1S)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1S)-1-methyl-2-(3-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) 2.39 7.26 -9.67 2 3 0 44 271.389 3 ↓
Mid Mid (pH 6-8) 2.39 7.69 -27.47 3 3 1 45 272.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-methyl-1-[(1R)-1-methyl-2-(3-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) 2.39 7.24 -9.66 2 3 0 44 271.389 3 ↓
Mid Mid (pH 6-8) 2.39 7.68 -27.73 3 3 1 45 272.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1S)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1S)-1-methyl-2-(3-th…

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) 2.96 7.88 -9.38 2 3 0 44 285.416 4 ↓
Mid Mid (pH 6-8) 2.96 8.29 -26.15 3 3 1 45 286.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[(1R)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-ethyl-1-[(1R)-1-methyl-2-(3-th…

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) 2.96 7.83 -9.29 2 3 0 44 285.416 4 ↓
Mid Mid (pH 6-8) 2.96 8.24 -26.17 3 3 1 45 286.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-methyl-2-(3-thienyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-1-methyl-2-(3-thienyl)et…

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) 3.47 8.64 -9.03 2 3 0 44 299.443 5 ↓
Mid Mid (pH 6-8) 3.47 9.07 -26.12 3 3 1 45 300.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-methyl-2-(3-thienyl)ethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-1-methyl-2-(3-thienyl)et…

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) 3.47 8.59 -9.02 2 3 0 44 299.443 5 ↓
Mid Mid (pH 6-8) 3.47 9.02 -26.09 3 3 1 45 300.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(1S)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1S)-1-methyl-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) 3.45 8.32 -8.99 2 3 0 44 299.443 4 ↓
Mid Mid (pH 6-8) 3.45 8.89 -24.56 3 3 1 45 300.451 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[(1R)-1-methyl-2-(3-thienyl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[(1R)-1-methyl-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) 3.45 8.26 -8.9 2 3 0 44 299.443 4 ↓
Mid Mid (pH 6-8) 3.45 8.85 -24.69 3 3 1 45 300.451 4 ↓

Parameters Provided:

ring.id = 28445
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 = 28445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28445&filter.purchasability=annotated

Embed Link to Results