UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33747080
33747080
33747082
33747082
34596096
34596096
34596097
34596097
36371704
36371704

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8R,9R,10S,13R,14S)-10,13-dimethyl-3-[(2R)-tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16- (3S,8R,9R,10S,13R,14S)-10,13-dim…

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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) 4.73 11.58 -6.46 0 3 0 36 372.549 2 ↓

Analogs

33747080
33747080
33747082
33747082
34596096
34596096
34596097
34596097
36371704
36371704

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8R,9R,10S,13S,14S)-10,13-dimethyl-3-[(2R)-tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16- (3S,8R,9R,10S,13S,14S)-10,13-dim…

Find On: PubMed — Wikipedia — Google

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) 4.73 11.65 -5.99 0 3 0 36 372.549 2 ↓

Analogs

33747080
33747080
33747082
33747082
34596096
34596096
34596097
34596097
36371704
36371704

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8R,9S,10S,13R,14S)-10,13-dimethyl-3-[(2R)-tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16- (3S,8R,9S,10S,13R,14S)-10,13-dim…

Find On: PubMed — Wikipedia — Google

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) 4.73 11.66 -7.07 0 3 0 36 372.549 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,8R,9S,10S,13S,14S)-10,13-dimethyl-3-[(2R)-tetrahydropyran-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16- (3S,8R,9S,10S,13S,14S)-10,13-dim…

Find On: PubMed — Wikipedia — Google

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) 4.73 11.51 -6.79 0 3 0 36 372.549 2 ↓

Parameters Provided:

ring.id = 146257
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 = 146257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=146257&filter.purchasability=annotated

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