UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6355781
6355781
6355789
6355789
33810516
33810516
35450246
35450246
35450250
35450250

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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) 4.79 10.6 -27.29 2 6 0 84 425.554 6

Analogs

6355781
6355781
6355789
6355789
33810516
33810516
35450246
35450246
35450250
35450250

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) 4.79 10.59 -27.24 2 6 0 84 425.554 6

Analogs

702465
702465

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) 5.18 6.16 -131.18 1 7 -2 114 477.517 5
Hi High (pH 8-9.5) 4.64 8.18 -72.35 2 7 -1 107 478.525 5
Mid Mid (pH 6-8) 4.72 8.04 -53.02 2 7 -1 111 478.525 5

Analogs

9704198
9704198

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) 4.78 10.89 -34.33 2 6 0 84 445.544 5
Mid Mid (pH 6-8) 5.24 9.52 -62.69 1 6 -1 87 444.536 5

Parameters Provided:

ring.id = 1985
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 = 1985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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