UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14469112
14469112
6211873
6211873
5966312
5966312

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Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)phenyl]

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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) 5.69 14.76 -15.26 0 4 0 63 381.431 5 ↓

Analogs

6211873
6211873
14469112
14469112
5966312
5966312

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)phenyl]

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) 5.92 14.76 -14.52 0 4 0 63 401.849 5 ↓

Analogs

14469112
14469112
6211873
6211873
6809792
6809792
5966312
5966312

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)phenyl]

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) 6.29 15.1 -14.67 0 4 0 63 415.876 5 ↓

Analogs

14469112
14469112
5966312
5966312
6211873
6211873

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)phenyl]

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) 5.31 14.34 -15.28 0 4 0 63 367.404 5 ↓

Analogs

14469112
14469112
5966312
5966312
6211873
6211873

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)phenyl]

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) 5.78 15.1 -14.95 0 4 0 63 381.431 6 ↓

Parameters Provided:

ring.id = 2829
filter.purchasability = annotated
page.format = targets
page.num = 1
iocnl1 = google_adsense
iosrcn = adwords
iocnl3 = legacy
iosrct = adnet

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 = 2829 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2829&filter.purchasability=annotated

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