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

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212305
17212305

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-1-[2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl]-3-phenoxy-4-phenyl-azetidin-2-one (3S,4R)-1-[2-[4-(4-methylpiperaz…

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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) 2.44 11.68 -48.05 1 7 1 58 463.602 6 ↓
Hi High (pH 8-9.5) 2.44 9.33 -15.3 0 7 0 56 462.594 6 ↓
Mid Mid (pH 6-8) 2.44 11.52 -48.86 1 7 1 58 463.602 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212305
17212305

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-1-[2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl]-3-phenoxy-4-phenyl-azetidin-2-one (3S,4S)-1-[2-[4-(4-methylpiperaz…

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) 2.44 11 -46.95 1 7 1 58 463.602 6 ↓
Hi High (pH 8-9.5) 2.44 8.64 -17.32 0 7 0 56 462.594 6 ↓
Mid Mid (pH 6-8) 2.44 11.04 -50.19 1 7 1 58 463.602 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212305
17212305

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-1-[2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl]-3-phenoxy-4-phenyl-azetidin-2-one (3R,4R)-1-[2-[4-(4-methylpiperaz…

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) 2.44 11.4 -49.12 1 7 1 58 463.602 6 ↓
Hi High (pH 8-9.5) 2.44 9.02 -16.58 0 7 0 56 462.594 6 ↓
Mid Mid (pH 6-8) 2.44 11.45 -51.93 1 7 1 58 463.602 6 ↓

Analogs

48235844
48235844
48235845
48235845
48235846
48235846
48235847
48235847
17212305
17212305

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-1-[2-[4-(4-methylpiperazin-1-yl)-1-piperidyl]-2-oxo-ethyl]-3-phenoxy-4-phenyl-azetidin-2-one (3R,4S)-1-[2-[4-(4-methylpiperaz…

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) 2.44 11.16 -45.21 1 7 1 58 463.602 6 ↓
Hi High (pH 8-9.5) 2.44 8.79 -14.83 0 7 0 56 462.594 6 ↓
Mid Mid (pH 6-8) 2.44 11.21 -48.54 1 7 1 58 463.602 6 ↓

Parameters Provided:

ring.id = 604061
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 = 604061 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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