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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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) -5.83 -21.1 -124.89 18 19 2 346 585.564 10
Hi High (pH 8-9.5) -5.83 -22.99 -27.47 16 19 0 343 583.548 10
Mid Mid (pH 6-8) -5.83 -22.56 -71.6 17 19 1 345 584.556 10

Analogs

Draw Identity 99% 90% 80% 70%

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) -5.83 -21.18 -128.62 18 19 2 346 585.564 10
Hi High (pH 8-9.5) -5.83 -22.64 -31.12 16 19 0 343 583.548 10
Mid Mid (pH 6-8) -5.83 -22.21 -54.44 17 19 1 345 584.556 10

Analogs

Draw Identity 99% 90% 80% 70%

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) -5.83 -22.95 -125.34 18 19 2 346 585.564 10
Hi High (pH 8-9.5) -5.83 -23.95 -32.02 16 19 0 343 583.548 10
Mid Mid (pH 6-8) -5.83 -23.38 -74.71 17 19 1 345 584.556 10

Analogs

Draw Identity 99% 90% 80% 70%

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) -5.83 -21.33 -116.86 18 19 2 346 585.564 10
Hi High (pH 8-9.5) -5.83 -22.95 -31.24 16 19 0 343 583.548 10
Mid Mid (pH 6-8) -5.83 -21.77 -57.24 17 19 1 345 584.556 10

Parameters Provided:

ring.id = 170424
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 = 170424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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