UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-(5-tert-butyl-2-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(5-tert-butyl-2-methyl-ph…

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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) 3.29 9.39 -8.48 0 2 0 26 264.39 3 ↓

Analogs

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Popular Name: (3S)-3-(5-tert-butyl-2-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(5-tert-butyl-2-methyl-ph…

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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) 3.29 9.39 -8.51 0 2 0 26 264.39 3 ↓

Analogs

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Popular Name: 3-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanylbenzoic 3-[(3R)-2-oxotetrahydrofuran-3-y…

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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) 1.09 7.13 -55.69 0 4 -1 66 237.256 3 ↓

Analogs

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Popular Name: 3-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanylbenzoic 3-[(3S)-2-oxotetrahydrofuran-3-y…

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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) 1.09 7.13 -55.67 0 4 -1 66 237.256 3 ↓

Analogs

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Popular Name: (3R)-3-(4-aminophenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(4-aminophenyl)sulfanylte…

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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) 0.28 4.45 -9.56 2 3 0 52 209.27 2 ↓

Analogs

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Popular Name: (3S)-3-(4-aminophenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(4-aminophenyl)sulfanylte…

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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) 0.28 4.45 -9.56 2 3 0 52 209.27 2 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-4-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(2-amino-4-methyl-phenyl)…

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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) 1.06 5.2 -9.74 2 3 0 52 223.297 2 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-4-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(2-amino-4-methyl-phenyl)…

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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) 1.06 5.2 -9.73 2 3 0 52 223.297 2 ↓

Analogs

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Popular Name: (3R)-3-(4-amino-2-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(4-amino-2-methyl-phenyl)…

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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) 0.66 5.01 -9.81 2 3 0 52 223.297 2 ↓

Analogs

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Popular Name: (3S)-3-(4-amino-2-methyl-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(4-amino-2-methyl-phenyl)…

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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) 0.66 5.01 -9.84 2 3 0 52 223.297 2 ↓

Analogs

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Popular Name: (3R)-3-(4-amino-2-fluoro-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(4-amino-2-fluoro-phenyl)…

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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) 0.37 4.5 -10.37 2 3 0 52 227.26 2 ↓

Analogs

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Popular Name: (3S)-3-(4-amino-2-fluoro-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(4-amino-2-fluoro-phenyl)…

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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) 0.37 4.5 -10.38 2 3 0 52 227.26 2 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-4-fluoro-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(2-amino-4-fluoro-phenyl)…

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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) 0.78 4.6 -9.52 2 3 0 52 227.26 2 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-4-fluoro-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(2-amino-4-fluoro-phenyl)…

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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) 0.78 4.6 -9.53 2 3 0 52 227.26 2 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-6-chloro-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(2-amino-6-chloro-phenyl)…

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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) 1.27 5.1 -11.01 2 3 0 52 243.715 2 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-6-chloro-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(2-amino-6-chloro-phenyl)…

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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) 1.27 5.31 -7.84 2 3 0 52 243.715 2 ↓

Analogs

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Popular Name: (3R)-3-(4-amino-2-chloro-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(4-amino-2-chloro-phenyl)…

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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) 0.89 4.9 -9.61 2 3 0 52 243.715 2 ↓

Analogs

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Popular Name: (3S)-3-(4-amino-2-chloro-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(4-amino-2-chloro-phenyl)…

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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) 0.89 4.9 -9.62 2 3 0 52 243.715 2 ↓

Analogs

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Popular Name: (3R)-3-(2-amino-4-bromo-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(2-amino-4-bromo-phenyl)s…

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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) 1.42 5.16 -9.04 2 3 0 52 288.166 2 ↓

Analogs

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Popular Name: (3S)-3-(2-amino-4-bromo-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(2-amino-4-bromo-phenyl)s…

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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) 1.42 5.16 -9.06 2 3 0 52 288.166 2 ↓

Analogs

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Popular Name: N-[4-[(3S,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]sulfanylphenyl]acetamide N-[4-[(3S,5R)-5-methyl-2-oxo-tet…

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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) 0.53 6.26 -16.88 1 4 0 55 265.334 3 ↓

Analogs

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Popular Name: N-[4-[(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]sulfanylphenyl]acetamide N-[4-[(3S,5S)-5-methyl-2-oxo-tet…

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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) 0.53 6.19 -17.19 1 4 0 55 265.334 3 ↓

Analogs

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Popular Name: N-[4-[(3R,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]sulfanylphenyl]acetamide N-[4-[(3R,5R)-5-methyl-2-oxo-tet…

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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) 0.53 6.26 -15.02 1 4 0 55 265.334 3 ↓

Analogs

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Popular Name: N-[4-[(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]sulfanylphenyl]acetamide N-[4-[(3R,5S)-5-methyl-2-oxo-tet…

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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) 0.53 6.26 -15.37 1 4 0 55 265.334 3 ↓

Analogs

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Popular Name: (3R)-3-(4-amino-2,6-difluoro-phenyl)sulfanyltetrahydrofuran-2-one (3R)-3-(4-amino-2,6-difluoro-phe…

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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) 0.46 4.76 -11.45 2 3 0 52 245.25 2 ↓

Analogs

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Popular Name: (3S)-3-(4-amino-2,6-difluoro-phenyl)sulfanyltetrahydrofuran-2-one (3S)-3-(4-amino-2,6-difluoro-phe…

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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) 0.46 4.76 -11.46 2 3 0 52 245.25 2 ↓

Parameters Provided:

ring.id = 177126
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 177126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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