UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-fluoro-aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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) 1.50 2.48 -14.64 1 4 0 49 258.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 2-bromo-N-[2-(1,1-dioxo-1,2-thia…

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 3.13 -13.78 1 4 0 49 319.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 2-chloro-N-[2-(1,1-dioxo-1,2-thi…

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) 1.96 3.02 -13.76 1 4 0 49 274.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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) 1.76 3.08 -14.26 1 4 0 49 254.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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) 1.78 3.09 -14.11 1 4 0 49 254.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 4-chloro-N-[2-(1,1-dioxo-1,2-thi…

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) 2.01 2.93 -13.95 1 4 0 49 274.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-fluoro-aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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 2.51 -14.54 1 4 0 49 258.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 3-chloro-N-[2-(1,1-dioxo-1,2-thi…

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) 1.99 2.92 -14.36 1 4 0 49 274.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{2-[(3-fluorophenyl)amino]ethyl}-1$l^{6},2-thiazolidine-1,1-dione 2-{2-[(3-fluorophenyl)amino]ethy…

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) 1.47 2.48 -15.12 1 4 0 49 258.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 3-bromo-N-[2-(1,1-dioxo-1,2-thia…

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 3.03 -14.29 1 4 0 49 319.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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 3.21 -14.18 1 4 0 49 254.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline 4-bromo-N-[2-(1,1-dioxo-1,2-thia…

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) 2.14 3.04 -13.91 1 4 0 49 319.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline N-[2-(1,1-dioxo-1,2-thiazolidin-…

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) 1.33 2.41 -14.01 1 4 0 49 240.328 4 ↓

Parameters Provided:

ring.id = 74716
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 = 74716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=74716&filter.purchasability=annotated

Embed Link to Results