UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25464248
25464248
25464254
25464254
48234655
48234655
48234656
48234656

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Popular Name: 2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one 2-[(2R,6R)-2,6-dimethylmorpholin…

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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) 2.64 6.56 -14.54 1 5 0 62 318.417 1 ↓

Analogs

25464254
25464254
48234655
48234655
48234656
48234656
25464243
25464243

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one 2-[(2S,6R)-2,6-dimethylmorpholin…

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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) 2.64 6.4 -13.86 1 5 0 62 318.417 1 ↓

Analogs

48234655
48234655
48234656
48234656
25464243
25464243
25464248
25464248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one 2-[(2S,6S)-2,6-dimethylmorpholin…

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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) 2.64 7.04 -18.42 1 5 0 62 318.417 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6,6-trimethyl-2-[(3S)-3-methylmorpholine-4-carbonyl]-5,7-dihydro-1H-indol-4-one 3,6,6-trimethyl-2-[(3S)-3-methyl…

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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) 2.24 6.04 -15.05 1 5 0 62 304.39 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6,6-trimethyl-2-[(3R)-3-methylmorpholine-4-carbonyl]-5,7-dihydro-1H-indol-4-one 3,6,6-trimethyl-2-[(3R)-3-methyl…

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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) 2.24 5.97 -15.39 1 5 0 62 304.39 1 ↓

Parameters Provided:

ring.id = 147890
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 = 147890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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