Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ii8arvcbbojn46d57k7qnjhjs6, 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: [(6S)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methanamine [(6S)-6-phenyl-4,5,6,7-tetrahydr…

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 5.34 -28.71 4 3 1 56 228.319 2 ↓
Hi High (pH 8-9.5) 2.25 4.66 -6.33 3 3 0 55 227.311 2 ↓
Mid Mid (pH 6-8) 2.25 5.05 -47.65 4 3 1 56 228.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methanamine N-methyl-1-[(6S)-6-phenyl-4,5,6,…

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) 2.63 6.19 -28.51 3 3 1 42 242.346 3 ↓
Hi High (pH 8-9.5) 2.63 5.49 -5.81 2 3 0 41 241.338 3 ↓
Mid Mid (pH 6-8) 2.63 6.92 -42.13 3 3 1 45 242.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methanamine N-methyl-1-[(6R)-6-phenyl-4,5,6,…

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) 2.63 6.19 -28.45 3 3 1 42 242.346 3 ↓
Hi High (pH 8-9.5) 2.63 5.49 -5.87 2 3 0 41 241.338 3 ↓
Mid Mid (pH 6-8) 2.63 6.92 -42.05 3 3 1 45 242.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(6S)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[(6S)-6-phenyl-4,5,6…

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) 3.81 8.2 -28.7 3 3 1 42 284.427 4 ↓
Hi High (pH 8-9.5) 3.81 7.51 -5.35 2 3 0 41 283.419 4 ↓
Mid Mid (pH 6-8) 3.81 8.74 -37.5 3 3 1 45 284.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(6R)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[(6R)-6-phenyl-4,5,6…

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) 3.81 8.2 -28.69 3 3 1 42 284.427 4 ↓
Hi High (pH 8-9.5) 3.81 7.51 -5.32 2 3 0 41 283.419 4 ↓
Mid Mid (pH 6-8) 3.81 8.74 -37.49 3 3 1 45 284.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(6S)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[(6S)-6-phenyl-4,5,6…

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 8.72 -29.28 3 3 1 42 284.427 5 ↓
Hi High (pH 8-9.5) 3.75 8.02 -5.39 2 3 0 41 283.419 5 ↓
Mid Mid (pH 6-8) 3.75 9.23 -41.82 3 3 1 45 284.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(6S)-6-phenyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]ethanamine 2-methoxy-N-[[(6S)-6-phenyl-4,5,…

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) 2.61 6.27 -28.86 3 4 1 51 286.399 6 ↓
Hi High (pH 8-9.5) 2.61 5.58 -8.14 2 4 0 50 285.391 6 ↓
Mid Mid (pH 6-8) 2.61 7.64 -111.83 4 4 2 56 287.407 6 ↓

Parameters Provided:

ring.id = 324580
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 = 324580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=324580&filter.purchasability=annotated

Embed Link to Results