UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809410
37809410
37809411
37809411

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopropyl-N-(2-hydroxyethyl)thiazolidine-4-carboxamide (4R)-N-cyclopropyl-N-(2-hydroxye…

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) -0.46 1.43 -39.01 3 4 1 57 217.314 4 ↓
Mid Mid (pH 6-8) -0.46 -0.1 -10.56 2 4 0 53 216.306 4 ↓

Analogs

37809410
37809410
37809411
37809411

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopropyl-N-(2-hydroxyethyl)thiazolidine-4-carboxamide (4S)-N-cyclopropyl-N-(2-hydroxye…

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) -0.46 1.13 -38.18 3 4 1 57 217.314 4 ↓
Mid Mid (pH 6-8) -0.46 -0.06 -9.72 2 4 0 53 216.306 4 ↓

Analogs

37081219
37081219
37081220
37081220

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopropyl-N-ethyl-thiazolidine-4-carboxamide (4R)-N-cyclopropyl-N-ethyl-thiaz…

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) 0.55 2.82 -9.02 1 3 0 32 200.307 3 ↓
Mid Mid (pH 6-8) 0.55 3.82 -38.35 2 3 1 37 201.315 3 ↓

Analogs

37081219
37081219
37081220
37081220

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopropyl-N-ethyl-thiazolidine-4-carboxamide (4S)-N-cyclopropyl-N-ethyl-thiaz…

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) 0.55 2.56 -6.13 1 3 0 32 200.307 3 ↓
Mid Mid (pH 6-8) 0.55 3.9 -37.5 2 3 1 37 201.315 3 ↓

Analogs

37081220
37081220
37096247
37096247
37097419
37097419
37097420
37097420
37108614
37108614

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide hydrochloride N-cyclopropyl-N-methyl-1,3-thiaz…

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) 0.18 3.05 -38.98 2 3 1 37 187.288 2 ↓
Mid Mid (pH 6-8) 0.18 1.97 -9.89 1 3 0 32 186.28 2 ↓

Analogs

37096247
37096247
37097419
37097419
37097420
37097420
37110314
37110314
37110315
37110315

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide hydrochloride N-cyclopropyl-N-methyl-1,3-thiaz…

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) 0.18 3.04 -38.63 2 3 1 37 187.288 2 ↓
Mid Mid (pH 6-8) 0.18 1.8 -6.91 1 3 0 32 186.28 2 ↓

Analogs

37081219
37081219
37081220
37081220

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopropyl-N-propyl-thiazolidine-4-carboxamide (4R)-N-cyclopropyl-N-propyl-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) 1.05 3.69 -8.23 1 3 0 32 214.334 4 ↓
Mid Mid (pH 6-8) 1.05 4.83 -38.47 2 3 1 37 215.342 4 ↓

Analogs

37081219
37081219
37081220
37081220

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopropyl-N-propyl-thiazolidine-4-carboxamide (4S)-N-cyclopropyl-N-propyl-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) 1.05 3.44 -5.33 1 3 0 32 214.334 4 ↓
Mid Mid (pH 6-8) 1.05 4.75 -38.43 2 3 1 37 215.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopropyl-3-(diethylsulfamoyl)-N-methyl-thiazolidine-4-carboxamide (4S)-N-cyclopropyl-3-(diethylsul…

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) 0.55 4.72 -16.99 0 6 0 61 321.468 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopropyl-3-(diethylsulfamoyl)-N-methyl-thiazolidine-4-carboxamide (4R)-N-cyclopropyl-3-(diethylsul…

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) 0.55 4.64 -21.01 0 6 0 61 321.468 6 ↓

Parameters Provided:

ring.id = 65985
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 = 65985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=65985&filter.purchasability=annotated

Embed Link to Results