UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36507973
36507973
36507974
36507974
36507975
36507975
36507976
36507976
36507977
36507977

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

Find On: PubMed — Wikipedia — Google

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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) 2.28 11.34 -21.15 0 8 0 73 476.577 6 ↓
Mid Mid (pH 6-8) 2.28 13.68 -53.02 1 8 1 75 477.585 6 ↓

Analogs

36507973
36507973
36507974
36507974
36507975
36507975
36507976
36507976
36507977
36507977

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

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) 2.28 10.95 -22.64 0 8 0 73 476.577 6 ↓
Mid Mid (pH 6-8) 2.28 13.26 -55.26 1 8 1 75 477.585 6 ↓

Analogs

36507973
36507973
36507974
36507974
36507975
36507975
36507976
36507976
36507977
36507977

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

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) 2.28 10.45 -18 0 8 0 73 476.577 6 ↓
Mid Mid (pH 6-8) 2.28 12.79 -52.49 1 8 1 75 477.585 6 ↓

Analogs

36507973
36507973
36507974
36507974
36507975
36507975
36507976
36507976
36507977
36507977

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

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) 2.28 11.03 -21.12 0 8 0 73 476.577 6 ↓
Mid Mid (pH 6-8) 2.28 13.37 -53.84 1 8 1 75 477.585 6 ↓

Parameters Provided:

ring.id = 603801
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 = 603801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=603801&filter.purchasability=annotated

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