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

Analogs

402890
402890
3875689
3875689
3875690
3875690
7997682
7997682
11680101
11680101

Draw Identity 99% 90% 80% 70%

Popular Name: Eucatropine hydrochloride Eucatropine hydrochloride

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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) 2.55 8.13 -34.42 2 4 1 51 292.399 4 ↓
Hi High (pH 8-9.5) 2.55 6 -5.72 1 4 0 50 291.391 4 ↓

Analogs

595
595
155894
155894
155896
155896
155897
155897
394464
394464

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Popular Name: INN INN

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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) 2.92 3.62 -38.48 1 3 1 30 290.427 6 ↓

Analogs

155894
155894
155896
155896
155897
155897
394464
394464
394465
394465

Draw Identity 99% 90% 80% 70%

Popular Name: ium ium

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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) -0.33 5.38 -35.44 0 3 1 26 304.454 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-methyl-4-piperidyl) (1-methyl-4-piperidyl)

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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) 1.30 6.9 -37.72 3 4 1 57 263.361 4 ↓
Hi High (pH 8-9.5) 1.30 4.55 -5.35 2 4 0 56 262.353 4 ↓
Lo Low (pH 4.5-6) 1.30 7.19 -98 4 4 2 58 264.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-methyl-4-piperidyl) (1-methyl-4-piperidyl)

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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) 1.30 6.93 -38.88 3 4 1 57 263.361 4 ↓
Hi High (pH 8-9.5) 1.30 4.52 -5.75 2 4 0 56 262.353 4 ↓
Lo Low (pH 4.5-6) 1.30 7.19 -97.98 4 4 2 58 264.369 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-methyl-4-piperidyl) (1-methyl-4-piperidyl)

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) 0.72 7.17 -39.64 3 4 1 57 249.334 4 ↓
Hi High (pH 8-9.5) 0.72 4.81 -6.99 2 4 0 56 248.326 4 ↓

Parameters Provided:

ring.id = 218
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 = 218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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