UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19677257
19677257
19677259
19677259

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Popular Name: (2R)-2-amino-2-cyclopropyl-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (2R)-2-amino-2-cyclopropyl-1-(4-…

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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) 0.64 2.46 -44.05 3 4 1 51 238.355 3 ↓
Mid Mid (pH 6-8) 0.64 4.67 -103.66 4 4 2 52 239.363 3 ↓

Analogs

19677257
19677257
19677259
19677259

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (2S)-2-amino-2-cyclopropyl-1-(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) 0.64 2.51 -38.61 3 4 1 51 238.355 3 ↓
Mid Mid (pH 6-8) 0.64 4.7 -90.58 4 4 2 52 239.363 3 ↓

Parameters Provided:

ring.id = 580259
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 = 580259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=580259&filter.purchasability=annotated

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