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

Analogs

39302220
39302220
39302219
39302219
39302218
39302218
39302032
39302032
39302021
39302021

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-isobutylpiperazin-1-yl)propan-1-one 3-(3,5-dimethyl-1-phenyl-pyrazol…

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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) 3.09 12.28 -48.42 1 5 1 43 369.533 6 ↓
Mid Mid (pH 6-8) 3.09 10.37 -11.29 0 5 0 41 368.525 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one 1-[4-[(2S)-2-hydroxypropyl]piper…

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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) 1.26 5.18 -12.86 1 6 0 62 342.443 6 ↓
Lo Low (pH 4.5-6) 1.26 7.45 -48.36 2 6 1 63 343.451 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one 1-[4-[(2R)-2-hydroxypropyl]piper…

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) 1.26 5.26 -12.35 1 6 0 62 342.443 6 ↓
Lo Low (pH 4.5-6) 1.26 7.5 -47.44 2 6 1 63 343.451 6 ↓

Parameters Provided:

ring.id = 36554
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 = 36554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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