UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-(4,5-dihydrothiazol-2-ylsu…

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) 1.61 3.2 -47.81 1 7 -1 100 355.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]benzoic 5-chloro-2-[[2-(4,5-dihydrothiaz…

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) 2.64 4.38 -44.93 1 5 -1 82 329.81 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-benzoic 2-[[2-(4,5-dihydrothiazol-2-ylsu…

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) 1.45 4.65 -51.84 1 5 -1 82 309.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-5-iodo-benzoic 2-[[2-(4,5-dihydrothiazol-2-ylsu…

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) 3.04 4.97 -44.84 1 5 -1 82 421.261 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]-4-fluoro-benzoic 2-[[2-(4,5-dihydrothiazol-2-ylsu…

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) 2.12 3.94 -43.55 1 5 -1 82 313.355 5 ↓

Analogs

42107367
42107367

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-bromo-2-methyl-phenyl)-2-(4,5-dihydrothiazol-2-ylsulfanyl)propanamide (2R)-N-(4-bromo-2-methyl-phenyl)…

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) 3.49 6.37 -9.1 1 3 0 41 359.314 4 ↓
Lo Low (pH 4.5-6) 3.49 7.16 -38.07 2 3 1 43 360.322 4 ↓

Analogs

42107363
42107363

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromo-2-methyl-phenyl)-2-(4,5-dihydrothiazol-2-ylsulfanyl)propanamide (2S)-N-(4-bromo-2-methyl-phenyl)…

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) 3.49 6.36 -9 1 3 0 41 359.314 4 ↓
Lo Low (pH 4.5-6) 3.49 7.17 -38.12 2 3 1 43 360.322 4 ↓

Parameters Provided:

ring.id = 127504
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 = 127504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=127504&filter.purchasability=annotated

Embed Link to Results