UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

525860
525860
2034193
2034193
2040947
2040947
2040948
2040948
11616653
11616653

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Popular Name: BA-253 BA-253

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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) -2.56 0.12 -33.81 1 5 1 59 332.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (methylBLAHyl) (methylBLAHyl)

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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) 1.06 4.13 -7.92 1 5 0 62 289.331 4 ↓
Mid Mid (pH 6-8) 1.06 6.52 -43.17 2 5 1 63 290.339 4 ↓

Parameters Provided:

ring.id = 386
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 = 386 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=386&filter.purchasability=annotated

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