UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-(2-ethyltetrazol-5-yl)sulfanyl-thiazole 4,5-dibromo-2-(2-ethyltetrazol-5…

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) 3.23 3.95 -8.15 0 5 0 57 371.083 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)thiazole-5-carboxylic 2-(2-ethyltetrazol-5-yl)sulfanyl…

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) 2.31 4.13 -47.07 0 7 -1 97 324.289 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-(2-methyltetrazol-5-yl)sulfanyl-thiazole 4,5-dibromo-2-(2-methyltetrazol-…

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) 2.85 3.1 -8.6 0 5 0 57 357.056 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-4-tert-butyl-2-(2-butyltetrazol-5-yl)sulfanyl-thiazole 5-bromo-4-tert-butyl-2-(2-butylt…

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) 5.30 7.11 -6.09 0 5 0 57 376.349 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-propyltetrazol-5-yl)sulfanylthiazol-4-yl]acetic 2-[2-(2-propyltetrazol-5-yl)sulf…

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) 1.53 4.61 -53.38 0 7 -1 97 284.346 6 ↓

Analogs

60218272
60218272

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-isopropyltetrazol-5-yl)sulfanyl-4-methyl-thiazole 2-(2-isopropyltetrazol-5-yl)sulf…

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) 1.95 3.68 -8.09 0 5 0 57 241.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-ethyltetrazol-5-yl)sulfanyl-thiazole 5-chloro-2-(2-ethyltetrazol-5-yl…

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) 2.17 3.38 -7.54 0 5 0 57 247.736 3 ↓

Analogs

60218142
60218142

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-(2-isopropyltetrazol-5-yl)sulfanyl-thiazole 4,5-dibromo-2-(2-isopropyltetraz…

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) 3.59 4.62 -7.94 0 5 0 57 385.11 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dibromo-2-(2-propyltetrazol-5-yl)sulfanyl-thiazole 4,5-dibromo-2-(2-propyltetrazol-…

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) 3.73 4.7 -7.57 0 5 0 57 385.11 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-(2-isopropyltetrazol-5-yl)sulfanyl-thiazole 5-chloro-2-(2-isopropyltetrazol-…

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) 2.53 4.04 -7.29 0 5 0 57 261.763 3 ↓

Analogs

60218000
60218000

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-thiazole 2-(2-tert-butyltetrazol-5-yl)sul…

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) 1.77 1.48 -16.44 0 7 0 91 319.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-propyltetrazol-5-yl)sulfanylthiazole-5-carboxylic 2-(2-propyltetrazol-5-yl)sulfany…

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) 1.68 4.22 -47.93 0 7 -1 97 270.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-butyltetrazol-5-yl)sulfanyl-5-chloro-thiazole 2-(2-butyltetrazol-5-yl)sulfanyl…

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) 3.23 4.9 -6.96 0 5 0 57 275.79 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4,5-dibromothiazol-2-yl)sulfanyltetrazol-2-yl]acetic 2-[5-(4,5-dibromothiazol-2-yl)su…

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) 2.10 4 -44.95 0 7 -1 97 400.057 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyltetrazol-5-yl)sulfanylthiazole 2-(2-ethyltetrazol-5-yl)sulfanyl…

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) 1.36 2.69 -10.41 0 5 0 57 213.291 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methylsulfonyl-2-(2-methyltetrazol-5-yl)sulfanyl-thiazole 5-methylsulfonyl-2-(2-methyltetr…

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) 0.58 -0.59 -16.92 0 7 0 91 277.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyltetrazol-5-yl)sulfanylthiazole-5-carboxylic 2-(2-methyltetrazol-5-yl)sulfany…

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) 0.80 2.61 -48.88 0 7 -1 97 242.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)thiazole-5-carboxylic 2-(2-tert-butyltetrazol-5-yl)sul…

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) 3.12 5.34 -47.09 0 7 -1 97 352.343 5 ↓

Analogs

60218296
60218296

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-isopropyltetrazol-5-yl)sulfanylthiazol-4-yl]acetic 2-[2-(2-isopropyltetrazol-5-yl)s…

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) 1.39 4.52 -53.92 0 7 -1 97 284.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-thiazole 2-(2-ethyltetrazol-5-yl)sulfanyl…

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) 0.96 0.26 -16.53 0 7 0 91 291.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-4-tert-butyl-2-(2-methyltetrazol-5-yl)sulfanyl-thiazole 5-bromo-4-tert-butyl-2-(2-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) 3.87 4.72 -7.21 0 5 0 57 334.268 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-(2-propyltetrazol-5-yl)sulfanyl-thiazole 4-methyl-2-(2-propyltetrazol-5-y…

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) 2.09 3.77 -7.82 0 5 0 57 241.345 4 ↓

Analogs

60216052
60216052

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-isopropyltetrazol-5-yl)sulfanylthiazole 2-(2-isopropyltetrazol-5-yl)sulf…

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) 1.73 3.35 -10.28 0 5 0 57 227.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-ethyltetrazol-5-yl)sulfanylthiazol-4-yl]acetic 2-[2-(2-ethyltetrazol-5-yl)sulfa…

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) 1.03 3.86 -54.08 0 7 -1 97 270.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-propyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)thiazole-5-carboxylic 2-(2-propyltetrazol-5-yl)sulfany…

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) 2.81 4.88 -46.34 0 7 -1 97 338.316 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-chlorothiazol-2-yl)sulfanyltetrazol-2-yl]acetic 2-[5-(5-chlorothiazol-2-yl)sulfa…

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) 1.04 3.42 -44.47 0 7 -1 97 276.71 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-propyltetrazol-5-yl)sulfanylthiazole 2-(2-propyltetrazol-5-yl)sulfany…

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) 1.87 3.44 -9.83 0 5 0 57 227.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-methyltetrazol-5-yl)sulfanylthiazol-4-yl]acetic 2-[2-(2-methyltetrazol-5-yl)sulf…

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) 0.65 3 -54.57 0 7 -1 97 256.292 4 ↓

Parameters Provided:

ring.id = 198242
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 = 198242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=198242&filter.purchasability=annotated

Embed Link to Results