UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6244808
6244808

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-bromo-6-methoxy-4-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl methanesulfonate (Z)-2-bromo-6-methoxy-4-((3-oxob…

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) 3.66 7.4 -24.27 0 7 0 87 481.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[(3,5-ditert-butyl-4-hydr…

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) 6.76 12.16 -11.61 1 4 0 55 406.551 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(5-bromo-2-methoxy-pheny…

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) 4.50 9.08 -12.81 0 4 0 44 387.258 2 ↓

Analogs

6458891
6458891

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-allyl-6-methoxy-4-[(Z)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic 2-[2-allyl-6-methoxy-4-[(Z)-(1-o…

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) 3.55 10.91 -60.33 0 7 -1 93 421.454 7 ↓

Analogs

658389
658389
13749051
13749051

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-4-[(E)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] [2-chloro-4-[(E)-(1-oxothiazolo[…

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) 3.86 11.18 -15.86 0 5 0 61 370.817 3 ↓

Analogs

8426067
8426067

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 4.39 11.43 -17.48 0 7 0 79 444.896 7 ↓

Analogs

382057
382057

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-chloro-4-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-chloro-4-methoxy-phen…

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) 4.37 8.96 -13.14 0 4 0 44 342.807 2 ↓

Analogs

36230630
36230630

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-ethoxy-4-hydroxy-5-ni…

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) 3.54 8.58 -19.11 1 8 0 110 383.385 4 ↓

Analogs

27520644
27520644
657103
657103

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(dimethyl-oxo-BLAHylidene)methyl]-2-methoxy-phenyl] [5-[(dimethyl-oxo-BLAHylidene)me…

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) 3.65 2.58 -19.45 0 6 0 69 394.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl-[(2,4,5-trimethoxyphenyl)methylene]BLAHone dimethyl-[(2,4,5-trimethoxypheny…

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) 4.14 1.25 -14.87 0 6 0 62 396.468 4 ↓

Analogs

2915772
2915772

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 4.68 11.3 -17.23 0 5 0 61 364.426 3 ↓

Parameters Provided:

ring.id = 95611
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 = 95611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95611&filter.purchasability=annotated

Embed Link to Results