UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

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) 2.72 11.41 -26.98 3 11 0 149 588.671 10 ↓
Hi High (pH 8-9.5) 2.90 9.58 -66.34 2 11 -1 155 587.663 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

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) 2.72 11.62 -26.85 3 11 0 149 588.671 10 ↓
Hi High (pH 8-9.5) 2.90 10.13 -65.17 2 11 -1 155 587.663 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

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) 2.72 11.53 -27.9 3 11 0 149 588.671 10 ↓
Hi High (pH 8-9.5) 2.90 10.17 -64.63 2 11 -1 155 587.663 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

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) 2.72 11.31 -27.83 3 11 0 149 588.671 10 ↓
Hi High (pH 8-9.5) 2.90 9.62 -65.62 2 11 -1 155 587.663 10 ↓

Parameters Provided:

ring.id = 194645
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 = 194645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194645&filter.purchasability=annotated

Embed Link to Results