UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(9H-fluoren-2-yl)-1H-imidazol-2-yl]methanamine [5-(9H-fluoren-2-yl)-1H-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) 2.76 6.91 -51.12 4 3 1 56 262.336 2 ↓
Hi High (pH 8-9.5) 2.76 6.55 -11.69 3 3 0 55 261.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(9H-fluoren-2-yl)-1H-imidazol-2-yl]ethanamine (1S)-1-[5-(9H-fluoren-2-yl)-1H-i…

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) 1.44 7.68 -53.97 4 3 1 56 276.363 2 ↓
Hi High (pH 8-9.5) 1.44 7.41 -9.89 3 3 0 55 275.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(9H-fluoren-2-yl)-1H-imidazol-2-yl]ethanamine (1R)-1-[5-(9H-fluoren-2-yl)-1H-i…

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) 1.44 7.41 -47.87 4 3 1 56 276.363 2 ↓
Hi High (pH 8-9.5) 1.44 7.12 -9.84 3 3 0 55 275.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(9H-fluoren-2-yl)-1H-imidazol-2-yl]ethanamine 2-[5-(9H-fluoren-2-yl)-1H-imidaz…

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) 2.56 7.64 -51.46 4 3 1 56 276.363 3 ↓
Lo Low (pH 4.5-6) 2.56 8.09 -114.95 5 3 2 58 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(9H-fluoren-2-yl)-1H-imidazol-2-yl]-N-methyl-methanamine 1-[5-(9H-fluoren-2-yl)-1H-imidaz…

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) 3.14 8.78 -45.37 3 3 1 45 276.363 3 ↓
Hi High (pH 8-9.5) 3.14 7.39 -9.53 2 3 0 41 275.355 3 ↓

Parameters Provided:

ring.id = 118372
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 = 118372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=118372&filter.purchasability=annotated

Embed Link to Results