UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BRD-A89639300-001-01-1 BRD-A89639300-001-01-1

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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) 1.95 0.97 -38.62 2 3 -1 64 251.346 1 ↓
Lo Low (pH 4.5-6) 1.95 -0.24 -4.59 3 3 0 61 252.354 1 ↓
Lo Low (pH 4.5-6) 1.95 0.48 -6.37 3 3 0 61 252.354 1 ↓

Analogs

16919310
16919310
33748445
33748445

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Popular Name: (2R,7Z)-bicyclo[7.4.0]trideca-1(9),7,10,12-tetraen-2-ol (2R,7Z)-bicyclo[7.4.0]trideca-1(…

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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) 3.28 5.07 -2.9 1 1 0 20 188.27 0 ↓

Parameters Provided:

ring.id = 92117
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 = 92117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=92117&filter.purchasability=annotated

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