UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,4R)-4-methoxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,4…

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) 1.43 5.02 -39.94 2 4 1 46 267.393 2 ↓
Mid Mid (pH 6-8) 1.43 3.63 -8.15 1 4 0 42 266.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,4S)-4-methoxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,4…

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) 1.43 4.96 -38.12 2 4 1 46 267.393 2 ↓
Mid Mid (pH 6-8) 1.43 3.58 -5.73 1 4 0 42 266.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,4R)-4-methoxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,4…

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) 1.43 4.95 -37.13 2 4 1 46 267.393 2 ↓
Mid Mid (pH 6-8) 1.43 3.65 -7.26 1 4 0 42 266.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,4…

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) 1.43 4.99 -39.56 2 4 1 46 267.393 2 ↓
Mid Mid (pH 6-8) 1.43 3.77 -10.6 1 4 0 42 266.385 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S)-pyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S)-…

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) 1.72 5.98 -37.13 2 3 1 37 237.367 1 ↓
Hi High (pH 8-9.5) 1.72 4.74 -9.13 1 3 0 32 236.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R)-pyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R)-…

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) 1.72 5.9 -36.62 2 3 1 37 237.367 1 ↓
Hi High (pH 8-9.5) 1.72 4.64 -6.39 1 3 0 32 236.359 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,4…

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) 0.81 2.54 -41.88 3 4 1 57 253.366 1 ↓
Hi High (pH 8-9.5) 0.81 1.35 -11.76 2 4 0 53 252.358 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,4…

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) 0.81 2.57 -38.68 3 4 1 57 253.366 1 ↓
Hi High (pH 8-9.5) 0.81 1.18 -6.87 2 4 0 53 252.358 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2S,4…

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) 0.81 2.61 -37.62 3 4 1 57 253.366 1 ↓
Hi High (pH 8-9.5) 0.81 1.31 -8.05 2 4 0 53 252.358 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl-[(2R,4R)-4-hydroxypyrrolidin-2-yl]methanone 8-azaspiro[4.5]decan-8-yl-[(2R,4…

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) 0.81 2.61 -40.89 3 4 1 57 253.366 1 ↓
Hi High (pH 8-9.5) 0.81 1.26 -8.32 2 4 0 53 252.358 1 ↓

Parameters Provided:

ring.id = 319651
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 = 319651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=319651&filter.purchasability=annotated

Embed Link to Results