UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclopropyl(methyl)amino]methyl]-3-(2,5-dimethylphenyl)imidazole-2-thione 1-[[cyclopropyl(methyl)amino]met…

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) 2.95 11.33 -17.35 0 3 0 13 287.432 4 ↓
Mid Mid (pH 6-8) 2.95 13.67 -45.14 1 3 1 14 288.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[cyclopropyl(methyl)amino]methyl]imidazole-2-thione 1-(3-chloro-2-methyl-phenyl)-3-[…

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) 2.95 11.09 -16.69 0 3 0 13 307.85 4 ↓
Mid Mid (pH 6-8) 2.95 13.42 -46.49 1 3 1 14 308.858 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclopropyl(methyl)amino]methyl]-3-(2,4-dimethylphenyl)imidazole-2-thione 1-[[cyclopropyl(methyl)amino]met…

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) 2.74 11.43 -16.98 0 3 0 13 287.432 4 ↓
Mid Mid (pH 6-8) 2.74 13.77 -45.15 1 3 1 14 288.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclopropyl(methyl)amino]methyl]-3-(3,5-dimethylphenyl)imidazole-2-thione 1-[[cyclopropyl(methyl)amino]met…

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) 2.95 11.17 -17.43 0 3 0 13 287.432 4 ↓
Mid Mid (pH 6-8) 2.95 13.51 -45 1 3 1 14 288.44 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[cyclopropyl(methyl)amino]methyl]-3-(3,4-dimethylphenyl)imidazole-2-thione 1-[[cyclopropyl(methyl)amino]met…

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) 2.74 11.07 -17.51 0 3 0 13 287.432 4 ↓
Mid Mid (pH 6-8) 2.74 13.4 -45.03 1 3 1 14 288.44 4 ↓

Parameters Provided:

ring.id = 543792
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 = 543792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=543792&filter.purchasability=annotated

Embed Link to Results