UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34474291
34474291
34474293
34474293
42804857
42804857

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Popular Name: (triacetoxy-tetramethyl-oxo-BLAHyl) (triacetoxy-tetramethyl-oxo-BLAHyl)

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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) 2.58 13.08 -18.8 0 11 0 144 548.585 8 ↓

Analogs

34474293
34474293
34474295
34474295
42805007
42805007

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Popular Name: (triacetoxy-hydroxy-tetramethyl-oxo-BLAHyl) (triacetoxy-hydroxy-tetramethyl-…

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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) 1.56 11.83 -20.52 1 12 0 164 564.584 8 ↓

Analogs

4492886
4492886

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Popular Name: Store at 2-8°C Store at 2-8°C

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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) 2.09 7.25 -11.58 0 3 0 39 248.322 0 ↓

Analogs

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Popular Name: Cis-cyclodecene Cis-cyclodecene

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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) 4.74 6.8 -0.19 0 0 0 0 138.254 0 ↓

Analogs

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Popular Name: CYCLODECENE CYCLODECENE

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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) 4.74 7.07 -0.02 0 0 0 0 138.254 0 ↓

Analogs

40937047
40937047

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Popular Name: (ethoxy-methyl-methylene-oxo-BLAHyl) (ethoxy-methyl-methylene-oxo-BLA…

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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) 1.91 7.44 -14.6 0 7 0 84 390.432 5 ↓

Analogs

16969645
16969645

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Popular Name: Chrysanthin; PYRETHROSIN; Pyrethrosin; Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)- Chrysanthin; PYRETHROSIN; Pyreth…

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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) 1.64 7.38 -12.58 0 5 0 65 306.358 2 ↓

Analogs

16969645
16969645

Draw Identity 99% 90% 80% 70%

Popular Name: Chrysanthin; PYRETHROSIN; Pyrethrosin; Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)- Chrysanthin; PYRETHROSIN; Pyreth…

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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) 1.64 7.48 -11.64 0 5 0 65 306.358 2 ↓

Analogs

16969645
16969645

Draw Identity 99% 90% 80% 70%

Popular Name: Chrysanthin; PYRETHROSIN; Pyrethrosin; Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)- Chrysanthin; PYRETHROSIN; Pyreth…

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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) 1.64 7.76 -12.98 0 5 0 65 306.358 2 ↓

Analogs

16969645
16969645

Draw Identity 99% 90% 80% 70%

Popular Name: Chrysanthin; PYRETHROSIN; Pyrethrosin; Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)- Chrysanthin; PYRETHROSIN; Pyreth…

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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) 1.64 7.73 -12.6 0 5 0 65 306.358 2 ↓

Analogs

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Popular Name: dihydroxy-dimethyl-methylene-BLAHone dihydroxy-dimethyl-methylene-BLA…

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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) 0.81 3.63 -8.72 2 4 0 67 278.348 0 ↓

Parameters Provided:

ring.id = 8415
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 = 8415 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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