UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-methylindolin-5-yl)imidazole-1,5-diamine 4-(1-methylindolin-5-yl)imidazol…

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) 0.73 5.84 -32.55 5 5 1 74 230.295 1 ↓
Mid Mid (pH 6-8) 0.73 5.42 -9.86 4 5 0 73 229.287 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(1-methylindolin-5-yl)imidazole-1,5-diamine 2-methyl-4-(1-methylindolin-5-yl…

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) 0.82 5.69 -27.57 5 5 1 74 244.322 1 ↓
Mid Mid (pH 6-8) 0.82 5.3 -10.07 4 5 0 73 243.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-(1-methylindolin-5-yl)imidazole-1,5-diamine 2-ethyl-4-(1-methylindolin-5-yl)…

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) 1.39 6.3 -26.6 5 5 1 74 258.349 2 ↓
Mid Mid (pH 6-8) 1.39 5.91 -9.93 4 5 0 73 257.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-methylindolin-5-yl)-2-propyl-imidazole-1,5-diamine 4-(1-methylindolin-5-yl)-2-propy…

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) 1.89 7.08 -26.77 5 5 1 74 272.376 3 ↓
Mid Mid (pH 6-8) 1.89 6.69 -9.76 4 5 0 73 271.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-4-(1-methylindolin-5-yl)imidazole-1,5-diamine 2-tert-butyl-4-(1-methylindolin-…

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) 2.54 7.38 -25.05 5 5 1 74 286.403 2 ↓
Mid Mid (pH 6-8) 2.54 6.97 -9.72 4 5 0 73 285.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-(1-methylindolin-5-yl)imidazole-1,5-diamine 2-isopropyl-4-(1-methylindolin-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) 1.87 6.9 -25.5 5 5 1 74 272.376 2 ↓
Mid Mid (pH 6-8) 1.87 6.37 -9.6 4 5 0 73 271.368 2 ↓

Parameters Provided:

ring.id = 26860
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 = 26860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26860&filter.purchasability=annotated

Embed Link to Results