UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(3S,6S)-6-[(2S,5R)-5-[(9E,11E)-hexadeca-9,11-dienyl]tetrahydrofuran-2-yl]dioxan-3-yl]acetic 2-[(3S,6S)-6-[(2S,5R)-5-[(9E,11E…

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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) 7.54 16.62 -53.52 0 5 -1 68 435.625 16 ↓

Analogs

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Popular Name: 87803-10-9; C17158; Plakortic acid 87803-10-9; C17158; Plakortic acid

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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) 4.01 9.89 -52.69 0 4 -1 59 297.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 87803-10-9; C17158; Plakortic acid 87803-10-9; C17158; Plakortic acid

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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) 4.01 10.28 -52.09 0 4 -1 59 297.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 87803-10-9; C17158; Plakortic acid 87803-10-9; C17158; Plakortic acid

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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) 4.01 9.96 -51.69 0 4 -1 59 297.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 87803-10-9; C17158; Plakortic acid 87803-10-9; C17158; Plakortic acid

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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) 4.01 10.02 -50.67 0 4 -1 59 297.415 8 ↓

Analogs

43439866
43439866

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Popular Name: (1R,2S,5R,6R)-2,6-dimethyl-2-(phenylsulfanylmethyl)-3,4-dioxabicyclo[3.3.1]nonan-6-ol (1R,2S,5R,6R)-2,6-dimethyl-2-(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) 3.44 5.86 -5.58 1 3 0 39 294.416 3 ↓

Analogs

42877088
42877088

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Popular Name: 2-[(3S,6R)-6-[(2S,5S)-5-[(9Z,11Z)-hexadeca-9,11,15-trienyl]tetrahydrofuran-2-yl]dioxan-3-yl]acetic 2-[(3S,6R)-6-[(2S,5S)-5-[(9Z,11Z…

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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) 7.02 15.62 -48.76 0 5 -1 68 433.609 16 ↓

Parameters Provided:

ring.id = 38983
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 = 38983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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