UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35500911
35500911
35500882
35500882
35500883
35500883
35500884
35500884
35500885
35500885

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) 3.24 6.88 -42.64 2 3 1 35 327.242 3
Hi High (pH 8-9.5) 3.24 5.7 -4.34 1 3 0 30 326.234 3

Analogs

35500882
35500882
35500883
35500883
35500884
35500884
35500885
35500885
35500910
35500910

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) 3.24 7.2 -36.93 2 3 1 35 327.242 3
Hi High (pH 8-9.5) 3.24 5.68 -3.88 1 3 0 30 326.234 3

Analogs

35501169
35501169
35501140
35501140
35501141
35501141
35501142
35501142
35501143
35501143

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) 3.11 6.79 -42.86 2 3 1 35 282.791 3

Analogs

35501140
35501140
35501141
35501141
35501142
35501142
35501143
35501143
35501168
35501168

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) 3.11 7.1 -37.49 2 3 1 35 282.791 3

Analogs

36163806
36163806
36163809
36163809
40245012
40245012
40245013
40245013
40245014
40245014

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) 1.95 4.8 -6.43 1 3 0 39 234.295 2

Analogs

36163806
36163806
36163809
36163809
55203764
55203764
55203767
55203767
55203771
55203771

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) 1.95 5.12 -6.4 1 3 0 39 234.295 2

Parameters Provided:

ring.id = 18229
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 = 18229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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