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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13737735
13737735

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,13R,14S)-13-methyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8S,9R,10S,13R,14S)-13-methyl-7,…

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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) 2.80 8.75 -8.43 0 3 0 51 300.398 1 ↓

Analogs

13737735
13737735

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,13S,14S)-13-methyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8S,9R,10S,13S,14S)-13-methyl-7,…

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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) 2.80 8.74 -7.3 0 3 0 51 300.398 1 ↓

Analogs

13737735
13737735

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14S)-13-methyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8S,9S,10S,13R,14S)-13-methyl-7,…

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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) 2.80 8.96 -11.24 0 3 0 51 300.398 1 ↓

Analogs

13737735
13737735

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13S,14S)-13-methyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth (8S,9S,10S,13S,14S)-13-methyl-7,…

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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) 2.80 8.76 -7.77 0 3 0 51 300.398 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,13R,14S)-10-(hydroxymethyl)-13-methyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a] (8S,9R,10S,13R,14S)-10-(hydroxym…

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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) 2.35 6.26 -9.94 1 3 0 54 302.414 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9R,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a] (8S,9R,10S,13S,14S)-10-(hydroxym…

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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) 2.35 6.33 -8.33 1 3 0 54 302.414 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13R,14S)-10-(hydroxymethyl)-13-methyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a] (8S,9S,10S,13R,14S)-10-(hydroxym…

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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) 2.35 6.59 -11.17 1 3 0 54 302.414 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a] (8S,9S,10S,13S,14S)-10-(hydroxym…

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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) 2.35 6.41 -7.11 1 3 0 54 302.414 1 ↓

Parameters Provided:

ring.id = 510526
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 = 510526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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