Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t8lm9gsfc12op48puhn0ceo2f2, 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-[[(2R)-1,4-dioxan-2-yl]methyl]benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 0.18 3.8 -11.6 2 5 0 62 233.271 2 ↓
Mid Mid (pH 6-8) 0.18 4.29 -31.32 3 5 1 64 234.279 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 0.18 3.81 -11.94 2 5 0 62 233.271 2 ↓
Mid Mid (pH 6-8) 0.18 4.3 -34.21 3 5 1 64 234.279 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-methyl-benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 0.27 3.61 -12.4 2 5 0 62 247.298 2 ↓
Mid Mid (pH 6-8) 0.27 4.05 -29.27 3 5 1 64 248.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-methyl-benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 0.27 3.71 -11.92 2 5 0 62 247.298 2 ↓
Mid Mid (pH 6-8) 0.27 4.15 -27.21 3 5 1 64 248.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-ethyl-benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 0.84 4.22 -11.97 2 5 0 62 261.325 3 ↓
Mid Mid (pH 6-8) 0.84 4.5 -27.84 3 5 1 64 262.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-ethyl-benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 0.84 4.32 -11.73 2 5 0 62 261.325 3 ↓
Mid Mid (pH 6-8) 0.84 4.64 -27.46 3 5 1 64 262.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-propyl-benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 1.34 5 -11.63 2 5 0 62 275.352 4 ↓
Mid Mid (pH 6-8) 1.34 5.28 -27.76 3 5 1 64 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-propyl-benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 1.34 5.09 -11.49 2 5 0 62 275.352 4 ↓
Mid Mid (pH 6-8) 1.34 5.42 -27.42 3 5 1 64 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-isopropyl-benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 1.32 4.63 -11.65 2 5 0 62 275.352 3 ↓
Mid Mid (pH 6-8) 1.32 5.1 -26.12 3 5 1 64 276.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-isopropyl-benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 1.32 4.71 -11.3 2 5 0 62 275.352 3 ↓
Mid Mid (pH 6-8) 1.32 5.22 -26.02 3 5 1 64 276.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.99 4.88 -11.53 2 5 0 62 289.379 3 ↓
Mid Mid (pH 6-8) 1.99 5.29 -24.47 3 5 1 64 290.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.99 4.87 -11.51 2 5 0 62 289.379 3 ↓
Mid Mid (pH 6-8) 1.99 5.27 -24.51 3 5 1 64 290.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(2R)-1,4-dioxan-2-yl]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) 1.18 4.06 -11.05 2 5 0 62 301.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(2S)-1,4-dioxan-2-yl]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) 1.18 3.82 -9.89 2 5 0 62 301.268 3 ↓

Parameters Provided:

ring.id = 28292
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 = 28292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28292&filter.purchasability=annotated

Embed Link to Results