UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16684913
16684913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-2-…

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) 3.33 2.99 -13.27 0 6 0 65 357.845 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(1-allyl-2,5-dimethyl-pyrrol-3…

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 3.26 -13.42 0 6 0 65 355.829 6 ↓

Analogs

7149001
7149001

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-ethanone 2-[5-(3-chlorophenyl)tetrazol-2-…

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) 3.47 2.88 -13.23 0 6 0 65 357.845 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 2-[5-(3-chlorophenyl)tetrazol-2-…

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 2.2 -15.17 0 7 0 74 387.871 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(1-ethyl-2,5-dimethyl-pyrrol-3…

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) 2.45 3.7 -13.97 0 6 0 65 327.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)-ethanone 2-[5-(3-fluorophenyl)tetrazol-2-…

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) 2.08 3.53 -14.28 0 6 0 65 313.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(2,5-dimethyl-1-propyl-pyrrol-…

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) 2.95 3.77 -13.63 0 6 0 65 341.39 6 ↓

Analogs

5169677
5169677

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-[2,5-dimethyl-1-(2,2,2-trifluo…

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) 3.00 5.46 -15.86 0 6 0 65 381.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 2-[5-(4-chlorophenyl)tetrazol-2-…

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) 2.87 2.2 -14.37 0 7 0 75 387.871 8 ↓

Parameters Provided:

ring.id = 4849
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 = 4849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4849&filter.purchasability=annotated

Embed Link to Results