UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4551147
4551147
4551148
4551148
4551149
4551149

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Popular Name: (3-nitrophenyl)-(2-thienyl)BLAHone (3-nitrophenyl)-(2-thienyl)BLAHone

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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) 4.61 -1.06 -9.44 2 6 0 86 417.49 3 ↓

Analogs

4551148
4551148
4551149
4551149
4551146
4551146

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-(2-thienyl)BLAHone (3-nitrophenyl)-(2-thienyl)BLAHone

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) 4.61 -1.05 -12.33 2 6 0 86 417.49 3 ↓

Analogs

4551149
4551149
4551146
4551146

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-(2-thienyl)BLAHone (3-nitrophenyl)-(2-thienyl)BLAHone

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) 4.61 -1.05 -9.85 2 6 0 86 417.49 3 ↓

Analogs

4551146
4551146

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-(2-thienyl)BLAHone (3-nitrophenyl)-(2-thienyl)BLAHone

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) 4.61 -1.06 -12.53 2 6 0 86 417.49 3 ↓

Parameters Provided:

ring.id = 248232
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 = 248232 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=248232&filter.purchasability=annotated

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