UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16527198
16527198
4821340
4821340

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 5.30 13.15 -13.69 0 3 0 39 330.383 4 ↓

Analogs

16527198
16527198
6809792
6809792
4840247
4840247

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 5.53 13.2 -12.81 0 3 0 39 350.801 4 ↓

Analogs

6809792
6809792
4821340
4821340
16527198
16527198

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 5.90 13.55 -12.81 0 3 0 39 364.828 4 ↓

Analogs

16527198
16527198
7656995
7656995
3308557
3308557

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 4.92 12.78 -13.62 0 3 0 39 316.356 4 ↓

Analogs

16527198
16527198

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 4.92 12.78 -13.64 0 3 0 39 316.356 4 ↓

Analogs

16527198
16527198

Draw Identity 99% 90% 80% 70%

Popular Name: 1-naphthyl 1-naphthyl

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) 5.39 13.55 -13.3 0 3 0 39 330.383 5 ↓

Parameters Provided:

ring.id = 2878
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 = 2878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2878&filter.purchasability=annotated

Embed Link to Results