UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37860812
37860812
37994249
37994249

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]acetic 2-[[2-[5-(3-thienyl)tetrazol-2-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) -1.54 2.13 -47 1 8 -1 113 266.262 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]oxyacetic 2-[[2-[5-(3-thienyl)tetrazol-2-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) -0.67 3.64 -61.63 1 9 -1 122 282.261 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-[2-(2-hydroxyethoxy)ethyl]-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) -0.61 -0.95 -19.14 2 8 0 102 297.34 8 ↓

Analogs

44887949
44887949
44887951
44887951

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-isopropyl-2-[5-(3-thienyl)tetr…

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 2.92 -15.96 1 6 0 73 251.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-carbamoyl-2-[5-(3-thienyl)tetr…

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) -0.60 0.09 -27.33 3 8 0 116 252.259 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-methyl-2-[5-(3-thienyl)tetrazo…

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) 0.13 1.27 -16.63 1 6 0 73 223.261 3 ↓

Analogs

44887949
44887949
44887951
44887951

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-tert-butyl-2-[5-(3-thienyl)tet…

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) 1.31 3.41 -15.18 1 6 0 73 265.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-isobutyl-2-[5-(3-thienyl)tetra…

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) 1.25 3.62 -15.57 1 6 0 73 265.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N,N-dimethyl-2-[5-(3-thienyl)tet…

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) -0.07 3.16 -16.56 0 6 0 64 237.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(methylcarbamoyl)-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-(methylcarbamoyl)-2-[5-(3-thie…

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) -0.22 1.5 -27.28 2 8 0 102 266.286 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dimethylpropyl)-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-(1,1-dimethylpropyl)-2-[5-(3-t…

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) 1.82 3.92 -14.97 1 6 0 73 279.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[5-(3-thienyl)tetrazol-2-yl]acetamide N-ethyl-2-[5-(3-thienyl)tetrazol…

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) 0.50 2.11 -15.99 1 6 0 73 237.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]pentanoic 5-[[2-[5-(3-thienyl)tetrazol-2-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) 0.42 4.36 -58.77 1 8 -1 113 308.343 8 ↓
Lo Low (pH 4.5-6) 0.42 2.38 -22.76 2 8 0 110 309.351 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]pentanoic (4S)-4-[[2-[5-(3-thienyl)tetrazo…

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) 0.24 4.58 -53.07 1 8 -1 113 308.343 7 ↓
Lo Low (pH 4.5-6) 0.24 2.6 -19.3 2 8 0 110 309.351 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-[[2-[5-(3-thienyl)tetrazol-2-yl]acetyl]amino]pentanoic (4R)-4-[[2-[5-(3-thienyl)tetrazo…

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) 0.24 4.58 -52.7 1 8 -1 113 308.343 7 ↓
Lo Low (pH 4.5-6) 0.24 2.6 -19.36 2 8 0 110 309.351 7 ↓

Parameters Provided:

ring.id = 125585
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 = 125585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125585&filter.purchasability=annotated

Embed Link to Results