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

Analogs

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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) 1.67 6.96 -8.82 0 5 0 44 322.449 7
Lo Low (pH 4.5-6) 1.67 8.85 -36.11 1 5 1 45 323.457 7

Analogs

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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) 1.88 6.3 -7.68 0 4 0 34 278.396 4
Lo Low (pH 4.5-6) 1.88 8.33 -30.33 1 4 1 36 279.404 4

Analogs

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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) 1.50 5.44 -8.03 0 4 0 34 264.369 3
Lo Low (pH 4.5-6) 1.50 7.48 -30.76 1 4 1 36 265.377 3

Analogs

35019991
35019991
35019993
35019993
35019994
35019994

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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) 0.61 4.23 -8.78 0 4 0 34 222.288 3
Lo Low (pH 4.5-6) 0.61 6.44 -35.8 1 4 1 36 223.296 3

Analogs

35019991
35019991
35019993
35019993
35019994
35019994

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) 0.61 4.23 -8.76 0 4 0 34 222.288 3
Lo Low (pH 4.5-6) 0.61 6.44 -35.83 1 4 1 36 223.296 3

Analogs

42462602
42462602
42775514
42775514
42775518
42775518
43426354
43426354
43426355
43426355

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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) 0.95 3.5 -7.53 1 4 0 45 236.315 3
Lo Low (pH 4.5-6) 0.95 5.61 -32.29 2 4 1 47 237.323 3

Analogs

42462602
42462602
42775514
42775514
42775518
42775518

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) 0.95 3.5 -7.56 1 4 0 45 236.315 3
Lo Low (pH 4.5-6) 0.95 5.61 -32.29 2 4 1 47 237.323 3

Analogs

42462644
42462644
42774944
42774944
42774948
42774948
43426258
43426258
43426259
43426259

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) 0.58 4.08 -8.56 0 4 0 34 222.288 3
Lo Low (pH 4.5-6) 0.58 6.2 -32.89 1 4 1 36 223.296 3

Analogs

42462644
42462644
42774944
42774944
42774948
42774948
43426258
43426258
43426259
43426259

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) 0.58 4.08 -8.57 0 4 0 34 222.288 3
Lo Low (pH 4.5-6) 0.58 6.2 -32.91 1 4 1 36 223.296 3

Analogs

42775131
42775131
42775135
42775135

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) 1.40 5.93 -7.89 0 4 0 34 264.369 4
Lo Low (pH 4.5-6) 1.40 8.04 -32.04 1 4 1 36 265.377 4

Analogs

42775131
42775131
42775135
42775135

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) 1.40 5.93 -7.85 0 4 0 34 264.369 4
Lo Low (pH 4.5-6) 1.40 8.04 -32.06 1 4 1 36 265.377 4

Analogs

42775139
42775139
42775143
42775143
43426194
43426194
43426195
43426195

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) 1.02 5.08 -8.14 0 4 0 34 250.342 3
Lo Low (pH 4.5-6) 1.02 7.19 -32.39 1 4 1 36 251.35 3

Analogs

42775139
42775139
42775143
42775143
43426378
43426378
43426379
43426379

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) 1.02 5.08 -8.18 0 4 0 34 250.342 3
Lo Low (pH 4.5-6) 1.02 7.19 -32.41 1 4 1 36 251.35 3

Analogs

37337796
37337796
37337798
37337798
37340087
37340087
37340088
37340088
37338152
37338152

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) 1.43 3.86 -7.38 1 4 0 45 250.342 3
Lo Low (pH 4.5-6) 1.43 5.9 -30.59 2 4 1 47 251.35 3

Analogs

37337893
37337893
37337895
37337895
37340139
37340139
37340140
37340140
37338250
37338250

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) 1.06 4.45 -8.38 0 4 0 34 236.315 3
Lo Low (pH 4.5-6) 1.06 6.49 -31.22 1 4 1 36 237.323 3

Parameters Provided:

ring.id = 200299
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 = 200299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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