UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41675730
41675730

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-pyrrolidinyl)-1H-benzimidazole 2-(1-pyrrolidinyl)-1H-benzimidazole

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) 2.26 -2.91 -7.61 1 3 0 32 187.246 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(1H-benzo[d]imidazol-2-yl)pyrrolidin-2-yl)methanamine hydrochloride (1-(1H-benzo[d]imidazol-2-yl)pyr…

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) 1.05 4.99 -95.36 5 4 2 61 218.304 2 ↓
Mid Mid (pH 6-8) 1.05 5.5 -44.98 4 4 1 60 217.296 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(1H-benzo[d]imidazol-2-yl)pyrrolidin-2-yl)methanamine hydrochloride (1-(1H-benzo[d]imidazol-2-yl)pyr…

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) 1.05 5.1 -95.65 5 4 2 61 218.304 2 ↓
Mid Mid (pH 6-8) 1.05 5.49 -45 4 4 1 60 217.296 2 ↓

Analogs

42434751
42434751

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(1H-benzo[d]imidazol-2-yl)pyrrolidin-2-yl)methanol (1-(1H-benzo[d]imidazol-2-yl)pyr…

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) 1.61 5.4 -23.84 3 4 1 53 218.28 2 ↓

Analogs

42434750
42434750

Draw Identity 99% 90% 80% 70%

Popular Name: (1-(1H-benzo[d]imidazol-2-yl)pyrrolidin-2-yl)methanol (1-(1H-benzo[d]imidazol-2-yl)pyr…

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) 1.61 5.48 -23.74 3 4 1 53 218.28 2 ↓

Parameters Provided:

ring.id = 40382
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 = 40382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40382&filter.purchasability=annotated

Embed Link to Results