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

Analogs

4043100
4043100
4569039
4569039
4569040
4569040

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7R,8R,8aS)-6-(4-tert-butylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7R,8R,8aS)-6-(4-tert-…

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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) 2.61 4.96 -9.3 2 7 0 86 393.48 4 ↓

Analogs

4043100
4043100
4569039
4569039
4569040
4569040

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7S,8R,8aS)-6-(4-tert-butylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7S,8R,8aS)-6-(4-tert-…

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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) 2.61 5.06 -17.58 2 7 0 86 393.48 4 ↓

Analogs

4043100
4043100
4569039
4569039
4569040
4569040

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7R,8S,8aS)-6-(4-tert-butylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7R,8S,8aS)-6-(4-tert-…

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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) 2.61 5.96 -10.07 2 7 0 86 393.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7S,8S,8aS)-6-(4-tert-butylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7S,8S,8aS)-6-(4-tert-…

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) 2.61 5.25 -20.63 2 7 0 86 393.48 4 ↓

Analogs

4042772
4042772
4569035
4569035

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7R,8R,8aS)-6-(2,5-dimethylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7R,8R,8aS)-6-(2,5-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) 1.73 4.03 -9.8 2 7 0 86 365.426 3 ↓

Analogs

4042772
4042772
4569035
4569035

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7S,8R,8aS)-6-(2,5-dimethylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7S,8R,8aS)-6-(2,5-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) 1.73 4.11 -17.42 2 7 0 86 365.426 3 ↓

Analogs

4042772
4042772
4569035
4569035

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7R,8S,8aS)-6-(2,5-dimethylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7R,8S,8aS)-6-(2,5-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) 1.73 5.03 -10.41 2 7 0 86 365.426 3 ↓

Analogs

4042772
4042772
4569035
4569035

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4aS,6R,7S,8S,8aS)-6-(2,5-dimethylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[5 N-[(4aS,6R,7S,8S,8aS)-6-(2,5-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) 1.73 4.25 -20.44 2 7 0 86 365.426 3 ↓

Parameters Provided:

ring.id = 146065
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 = 146065 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=146065&filter.purchasability=annotated

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