UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38599908
38599908
38599911
38599911
38599913
38599913
38599916
38599916
22050623
22050623

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Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

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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) 4.46 11.18 -8.07 0 6 0 55 446.499 5 ↓

Analogs

38599908
38599908
38599911
38599911
38599913
38599913
38599916
38599916
22050623
22050623

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.38 -9.79 0 6 0 55 446.499 5 ↓

Analogs

38599908
38599908
38599911
38599911
38599913
38599913
38599916
38599916
22050623
22050623

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.5 -9.54 0 6 0 55 446.499 5 ↓

Analogs

38599908
38599908
38599911
38599911
38599913
38599913
38599916
38599916
22050623
22050623

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.34 -7.43 0 6 0 55 446.499 5 ↓

Analogs

36532963
36532963
36532965
36532965
36532966
36532966
4285564
4285564
4285566
4285566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloroethoxy(divinyl)BLAH 2-chloroethoxy(divinyl)BLAH

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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) 1.57 3.92 -6.77 0 6 0 55 318.753 5 ↓

Analogs

36532965
36532965
36532966
36532966
36532961
36532961
4285564
4285564

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloroethoxy(divinyl)BLAH 2-chloroethoxy(divinyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 1.57 4.97 -7.78 0 6 0 55 318.753 5 ↓

Analogs

36532966
36532966
36532961
36532961
36532963
36532963

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloroethoxy(divinyl)BLAH 2-chloroethoxy(divinyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 1.57 3.95 -6.82 0 6 0 55 318.753 5 ↓

Analogs

36532961
36532961
36532963
36532963

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloroethoxy(divinyl)BLAH 2-chloroethoxy(divinyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 1.57 4.81 -7.75 0 6 0 55 318.753 5 ↓

Analogs

38599911
38599911
38599913
38599913
38599916
38599916
22050623
22050623
22050627
22050627

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.04 -9.46 0 6 0 55 446.499 5 ↓

Analogs

22050623
22050623
22050627
22050627
22050632
22050632
22050637
22050637
35636499
35636499

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.23 -7.44 0 6 0 55 446.499 5 ↓

Analogs

22050623
22050623
22050627
22050627
22050632
22050632
22050637
22050637
35636499
35636499

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.94 -7.9 0 6 0 55 446.499 5 ↓

Analogs

22050623
22050623
22050627
22050627
22050632
22050632
22050637
22050637
35636499
35636499

Draw Identity 99% 90% 80% 70%

Popular Name: benzyloxy(diphenyl)BLAH benzyloxy(diphenyl)BLAH

Find On: PubMed — Wikipedia — Google

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) 4.46 11.45 -7.51 0 6 0 55 446.499 5 ↓

Parameters Provided:

ring.id = 20449
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 = 20449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=20449&filter.purchasability=annotated

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