Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vdkbb0ru2v1g3n00h1a3ujpbq5, 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-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 1-[[(2S)-tetrahydropyran-2-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) 1.43 5.69 -9.87 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.43 6.18 -28.55 3 4 1 54 232.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 1-[[(2R)-tetrahydropyran-2-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) 1.43 5.71 -10.24 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.43 6.2 -32.02 3 4 1 54 232.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-methyl-1-[[(2S)-tetrahydropyra…

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) 1.52 5.5 -10.82 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.52 5.93 -27.23 3 4 1 54 246.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-methyl-1-[[(2R)-tetrahydropyra…

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) 1.52 5.65 -10.21 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.52 6.09 -24.54 3 4 1 54 246.334 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(2S)-tetrahydropyran…

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) 2.09 6.1 -10.47 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.09 6.38 -25.75 3 4 1 54 260.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(2R)-tetrahydropyran…

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) 2.09 6.25 -10.02 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 2.09 6.51 -25.48 3 4 1 54 260.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-propyl-1-[[(2S)-tetrahydropyra…

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) 2.59 6.88 -10.12 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.59 7.16 -25.63 3 4 1 54 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-propyl-1-[[(2R)-tetrahydropyra…

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) 2.59 7.03 -9.76 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.59 7.29 -25.46 3 4 1 54 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-isopropyl-1-[[(2S)-tetrahydrop…

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) 2.57 6.52 -10.13 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.57 6.98 -24.1 3 4 1 54 274.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-isopropyl-1-[[(2R)-tetrahydrop…

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) 2.57 6.64 -9.56 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.57 7.11 -24.02 3 4 1 54 274.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-tert-butyl-1-[[(2S)-tetrahydro…

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) 3.24 6.8 -10.12 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.24 7.2 -22.48 3 4 1 54 288.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[[(2R)-tetrahydropyran-2-yl]methyl]benzimidazol-5-amine 2-tert-butyl-1-[[(2R)-tetrahydro…

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) 3.24 6.77 -10.14 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.24 7.16 -22.54 3 4 1 54 288.415 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-tetrahydropyran-2-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(2S)-tetrahydropyran-2-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) 2.43 6.03 -9.85 2 4 0 53 299.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-tetrahydropyran-2-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(2R)-tetrahydropyran-2-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) 2.43 5.71 -8.1 2 4 0 53 299.296 3 ↓

Parameters Provided:

ring.id = 28297
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 = 28297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28297&filter.purchasability=annotated

Embed Link to Results