UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41690383
41690383
37848126
37848126
37848127
37848127
37849653
37849653
37849654
37849654

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Popular Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-[(1S,2R,4R)-norbornan-2-yl]ethoxy]propan-2-ol (2R)-1-[4-(2-hydroxyethyl)pipera…

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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) 1.13 0.2 -6.57 2 5 0 56 326.481 9 ↓
Mid Mid (pH 6-8) 1.13 2.43 -37.18 3 5 1 57 327.489 9 ↓
Mid Mid (pH 6-8) 1.13 2.54 -33.61 3 5 1 57 327.489 9 ↓

Analogs

41690381
41690381
37848126
37848126
37848127
37848127
37849649
37849649
37849650
37849650

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Popular Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[2-[(1R,2R,4S)-norbornan-2-yl]ethoxy]propan-2-ol (2R)-1-[4-(2-hydroxyethyl)pipera…

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) 1.13 0.07 -6.54 2 5 0 56 326.481 9 ↓
Mid Mid (pH 6-8) 1.13 2.38 -37.18 3 5 1 57 327.489 9 ↓
Mid Mid (pH 6-8) 1.13 2.36 -33.38 3 5 1 57 327.489 9 ↓

Parameters Provided:

ring.id = 569854
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 = 569854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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