UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37825016
37825016
37825017
37825017
12946210
12946210
12946214
12946214

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Popular Name: (4R)-N-cyclopentyl-N-methyl-thiazolidine-4-carboxamide (4R)-N-cyclopentyl-N-methyl-thia…

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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) 1.21 3.29 -9.49 1 3 0 32 214.334 2 ↓
Mid Mid (pH 6-8) 1.21 4.36 -39.34 2 3 1 37 215.342 2 ↓

Analogs

37825016
37825016
37825017
37825017
35766384
35766384
35766386
35766386

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Popular Name: (4S)-N-cyclopentyl-N-methyl-thiazolidine-4-carboxamide (4S)-N-cyclopentyl-N-methyl-thia…

Find On: PubMed — Wikipedia — Google

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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) 1.21 3.15 -6.5 1 3 0 32 214.334 2 ↓
Mid Mid (pH 6-8) 1.21 4.38 -38.44 2 3 1 37 215.342 2 ↓

Analogs

35766384
35766384
35766386
35766386
37092839
37092839
37092838
37092838
37505106
37505106

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Popular Name: (4R)-N-cyclopentyl-N-(2-dimethylaminoethyl)thiazolidine-4-carboxamide (4R)-N-cyclopentyl-N-(2-dimethyl…

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) 1.24 5.46 -51.07 2 4 1 37 272.438 5 ↓
Mid Mid (pH 6-8) 1.24 6.63 -109.59 3 4 2 41 273.446 5 ↓

Analogs

35766384
35766384
35766386
35766386
37092839
37092839
37092838
37092838
37505106
37505106

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopentyl-N-(2-dimethylaminoethyl)thiazolidine-4-carboxamide (4S)-N-cyclopentyl-N-(2-dimethyl…

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) 1.24 5.22 -47.69 2 4 1 37 272.438 5 ↓
Mid Mid (pH 6-8) 1.24 6.56 -104.42 3 4 2 41 273.446 5 ↓

Parameters Provided:

ring.id = 144693
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 = 144693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=144693&filter.purchasability=annotated

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