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

Analogs

41192992
41192992
41188661
41188661
41188664
41188664

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) 3.03 5.63 -31.31 2 3 1 39 275.397 4
Mid Mid (pH 6-8) 3.03 4.83 -6.26 1 3 0 34 274.389 4

Analogs

41188661
41188661
41188664
41188664
41192990
41192990

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) 3.03 6.75 -33.26 2 3 1 39 275.397 4
Mid Mid (pH 6-8) 3.03 4.77 -6.36 1 3 0 34 274.389 4

Analogs

41193551
41193551
41189200
41189200
41189203
41189203

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) 3.25 6.54 -36.58 2 3 1 39 289.424 4
Mid Mid (pH 6-8) 3.25 6.11 -5.51 1 3 0 34 288.416 4

Analogs

41189200
41189200
41189203
41189203
41193548
41193548

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) 3.25 6.5 -36.65 2 3 1 39 289.424 4
Mid Mid (pH 6-8) 3.25 6.17 -5.48 1 3 0 34 288.416 4

Analogs

41194023
41194023
41189793
41189793
41189795
41189795

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) 3.47 6.99 -30.86 2 3 1 39 303.451 4
Mid Mid (pH 6-8) 3.47 6.18 -6.7 1 3 0 34 302.443 4

Analogs

41189793
41189793
41189795
41189795
41194021
41194021

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) 3.47 8.06 -32.53 2 3 1 39 303.451 4
Mid Mid (pH 6-8) 3.47 6.12 -6.94 1 3 0 34 302.443 4

Analogs

41195762
41195762
41188661
41188661
41188664
41188664

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) 2.82 5.48 -29.87 2 3 1 39 275.397 3
Mid Mid (pH 6-8) 2.82 4.47 -6.33 1 3 0 34 274.389 3

Analogs

41188661
41188661
41188664
41188664
41195761
41195761

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) 2.82 6.09 -31.03 2 3 1 39 275.397 3
Mid Mid (pH 6-8) 2.82 4.27 -6.6 1 3 0 34 274.389 3

Analogs

41196157
41196157
41189200
41189200
41189203
41189203

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) 3.04 6.08 -35.79 2 3 1 39 289.424 3
Mid Mid (pH 6-8) 3.04 5.86 -4.58 1 3 0 34 288.416 3

Analogs

41189200
41189200
41189203
41189203
41196155
41196155

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) 3.04 5.91 -33.93 2 3 1 39 289.424 3
Mid Mid (pH 6-8) 3.04 5.55 -6.31 1 3 0 34 288.416 3

Analogs

41196532
41196532
41189793
41189793
41189795
41189795

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) 3.26 7.41 -33.37 2 3 1 39 303.451 3
Mid Mid (pH 6-8) 3.26 5.81 -6.86 1 3 0 34 302.443 3

Analogs

41189793
41189793
41189795
41189795
41196530
41196530

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) 3.26 6.59 -29.11 2 3 1 39 303.451 3
Mid Mid (pH 6-8) 3.26 5.62 -6.99 1 3 0 34 302.443 3

Parameters Provided:

ring.id = 520594
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 = 520594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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