UCSF
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Analogs

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Popular Name: (2R,3R)-3-[4-[(1R,2S,3S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]butyl]oxi (2R,3R)-3-[4-[(1R,2S,3S)-3-hydro…

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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) 3.92 7.38 -47.71 2 5 -1 93 381.533 12 ↓

Analogs

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Popular Name: (2R,3R)-3-[4-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]butyl]oxi (2R,3R)-3-[4-[(1R,2S,3S)-3-hydro…

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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) 3.92 7.16 -48.41 2 5 -1 93 381.533 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2R,3S)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]butyl]oxi (2R,3R)-3-[4-[(1R,2R,3S)-3-hydro…

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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) 3.92 7.42 -46.98 2 5 -1 93 381.533 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxy-4,4-dimethyl-oct-1-enyl]cyclopentyl]butyl]oxi (2R,3R)-3-[4-[(1R,2R,3S)-3-hydro…

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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) 3.92 7.18 -47.61 2 5 -1 93 381.533 12 ↓

Analogs

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Popular Name: (2R,3R)-3-[4-[(1S,2R)-2-[(E)-oct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2R)-2-[(E)-oct…

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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) 5.80 12.76 -45.19 0 3 -1 53 321.481 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2S)-2-[(E)-oct…

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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) 5.80 12.93 -45.19 0 3 -1 53 321.481 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2R)-2-[(E)-oct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1R,2R)-2-[(E)-oct…

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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) 5.80 12.95 -45.45 0 3 -1 53 321.481 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1R,2S)-2-[(E)-oct…

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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) 5.80 12.76 -45.16 0 3 -1 53 321.481 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxy (2R,3R)-3-[4-[(1R,2S,3S)-3-hydro…

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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) 3.27 6.48 -47.89 2 5 -1 93 353.479 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2S,3S)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxy (2R,3R)-3-[4-[(1R,2S,3S)-3-hydro…

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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) 3.27 6.26 -48.61 2 5 -1 93 353.479 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxy (2R,3R)-3-[4-[(1R,2R,3S)-3-hydro…

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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) 3.27 6.54 -47.32 2 5 -1 93 353.479 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1R,2R,3S)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxy (2R,3R)-3-[4-[(1R,2R,3S)-3-hydro…

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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) 3.27 6.31 -47.85 2 5 -1 93 353.479 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1S,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2R)-2-[(E,3S)-…

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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) 4.42 9.68 -46.34 1 4 -1 73 337.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1S,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2R)-2-[(E,3R)-…

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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) 4.42 9.46 -46.51 1 4 -1 73 337.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1S,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2S)-2-[(E,3S)-…

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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) 4.42 9.84 -46.92 1 4 -1 73 337.48 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-[4-[(1S,2S)-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]butyl]oxirane-2-carboxylic (2R,3R)-3-[4-[(1S,2S)-2-[(E,3R)-…

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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) 4.42 9.63 -47.22 1 4 -1 73 337.48 12 ↓

Parameters Provided:

ring.id = 196898
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 = 196898 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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