UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (-)-4,9,11,12a-Tetrahydroxyrotenone (-)-4,9,11,12a-Tetrahydroxyrotenone

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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) 1.13 -2.4 -11.15 4 7 0 116 316.265 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (-)-4,9,11,12a-Tetrahydroxyrotenone (-)-4,9,11,12a-Tetrahydroxyrotenone

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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) 1.13 -1.43 -11.76 4 7 0 116 316.265 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (-)-4,9,11,12a-Tetrahydroxyrotenone (-)-4,9,11,12a-Tetrahydroxyrotenone

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Activity (Go SEA)

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) 1.13 -1.47 -12.09 4 7 0 116 316.265 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (-)-4,9,11,12a-Tetrahydroxyrotenone (-)-4,9,11,12a-Tetrahydroxyrotenone

Find On: PubMed — Wikipedia — Google

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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) 1.13 -2.37 -10.66 4 7 0 116 316.265 0 ↓

Analogs

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Popular Name: (-)-4,11,12a-Trihydroxy-9-methoxyrotenone (-)-4,11,12a-Trihydroxy-9-methox…

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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) 1.66 0.67 -10.75 3 7 0 105 330.292 1 ↓

Analogs

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Popular Name: (-)-4,11,12a-Trihydroxy-9-methoxyrotenone (-)-4,11,12a-Trihydroxy-9-methox…

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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) 1.66 -0.23 -10.12 3 7 0 105 330.292 1 ↓

Analogs

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Popular Name: (-)-4,11,12a-Trihydroxy-9-methoxyrotenone (-)-4,11,12a-Trihydroxy-9-methox…

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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) 1.66 -0.26 -10.14 3 7 0 105 330.292 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (-)-4,11,12a-Trihydroxy-9-methoxyrotenone (-)-4,11,12a-Trihydroxy-9-methox…

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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) 1.66 0.71 -11.21 3 7 0 105 330.292 1 ↓

Analogs

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Popular Name: 4'-hydroxy-rot-2'-enonate; 4'-hydroxy-rot-2'-enonic acid; CPD-9535 4'-hydroxy-rot-2'-enonate; 4'-hy…

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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) 2.91 4.42 -14.17 2 7 0 94 412.438 5 ↓
Hi High (pH 8-9.5) 2.91 5.2 -50.2 1 7 -1 97 411.43 5 ↓

Analogs

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Popular Name: (6aR,12aS)-11,12a-dihydroxy-9,10-dimethoxy-6,6a-dihydrochromeno[2,3-c]chromen-12-one (6aR,12aS)-11,12a-dihydroxy-9,10…

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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) 1.74 2.3 -10.86 2 7 0 94 344.319 2 ↓

Parameters Provided:

ring.id = 134161
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 = 134161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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