UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]ethanamine 2-[4-[(1,1-dioxo-1,2-thiazolidin…

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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) 0.23 2.3 -54.94 3 4 1 65 255.363 4 ↓

Analogs

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Popular Name: 2-[(2-bromo-5-fluoro-phenyl)methyl]-1,2-thiazolidine 2-[(2-bromo-5-fluoro-phenyl)meth…

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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) 2.15 3.82 -12.02 0 3 0 37 308.172 2 ↓

Analogs

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

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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) 0.88 1.57 -14.4 2 4 0 63 240.328 2 ↓

Analogs

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

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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) 0.88 1.64 -13.97 2 4 0 63 240.328 2 ↓

Analogs

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

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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) 0.86 1.56 -14.45 2 4 0 63 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.86 1.63 -14.04 2 4 0 63 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.24 2.21 -10.57 2 4 0 63 240.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.24 2.22 -10.32 2 4 0 63 240.328 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-(4-bromophenyl)ethyl]-1,2-thiazolidine 2-[(1S)-1-(4-bromophenyl)ethyl]-…

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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) 2.62 4.32 -13.51 0 3 0 37 304.209 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-(4-bromophenyl)ethyl]-1,2-thiazolidine 2-[(1R)-1-(4-bromophenyl)ethyl]-…

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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) 2.62 4.4 -13.01 0 3 0 37 304.209 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-(3-bromophenyl)ethyl]-1,2-thiazolidine 2-[(1S)-1-(3-bromophenyl)ethyl]-…

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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) 2.59 4.31 -14.64 0 3 0 37 304.209 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-(3-bromophenyl)ethyl]-1,2-thiazolidine 2-[(1R)-1-(3-bromophenyl)ethyl]-…

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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) 2.59 4.38 -14.57 0 3 0 37 304.209 2 ↓

Analogs

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Popular Name: (2R)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenyl-propanoic (2R)-2-(1,1-dioxo-1,2-thiazolidi…

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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) 1.12 5.2 -66.11 0 5 -1 78 268.314 3 ↓

Analogs

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Popular Name: (2S)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenyl-propanoic (2S)-2-(1,1-dioxo-1,2-thiazolidi…

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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) 1.12 4.34 -58.22 0 5 -1 78 268.314 3 ↓

Analogs

36881752
36881752

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Popular Name: 2-[(4-bromophenyl)methyl]-1$l^{6},2-thiazolidine-1,1-dione 2-[(4-bromophenyl)methyl]-1$l^{6…

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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) 2.06 4.11 -12.92 0 3 0 37 290.182 2 ↓

Parameters Provided:

ring.id = 32950
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 = 32950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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