UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36726013
36726013
39570275
39570275

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Popular Name: N-(9-ethylcarbazol-3-yl)-2-[(5R,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamid N-(9-ethylcarbazol-3-yl)-2-[(5R,…

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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) 4.93 11.78 -22.96 2 7 0 83 460.578 4 ↓

Analogs

36726013
36726013
39570275
39570275

Draw Identity 99% 90% 80% 70%

Popular Name: N-(9-ethylcarbazol-3-yl)-2-[(5S,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamid N-(9-ethylcarbazol-3-yl)-2-[(5S,…

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) 4.93 11.22 -24.04 2 7 0 83 460.578 4 ↓

Analogs

36726013
36726013
39570275
39570275

Draw Identity 99% 90% 80% 70%

Popular Name: N-(9-ethylcarbazol-3-yl)-2-[(5R,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamid N-(9-ethylcarbazol-3-yl)-2-[(5R,…

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) 4.93 11.29 -23.66 2 7 0 83 460.578 4 ↓

Analogs

36726013
36726013
39570275
39570275

Draw Identity 99% 90% 80% 70%

Popular Name: N-(9-ethylcarbazol-3-yl)-2-[(5S,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetamid N-(9-ethylcarbazol-3-yl)-2-[(5S,…

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) 4.93 11.76 -23.02 2 7 0 83 460.578 4 ↓

Parameters Provided:

ring.id = 135221
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 = 135221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=135221&filter.purchasability=annotated

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