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

Analogs

48607625
48607625
48607626
48607626
58919812
58919812

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-1-[(3R)-3-pyrrolidin-1-yl-1-piperidyl]ethanone 2-(cyclopropylmethylamino)-1-[(3…

Find On: PubMed — Wikipedia — Google

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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) 0.79 7.65 -89.11 3 4 2 41 267.417 5 ↓
Hi High (pH 8-9.5) 0.79 6.29 -36.04 2 4 1 37 266.409 5 ↓

Analogs

48607625
48607625
48607626
48607626
58919812
58919812

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-1-[(3S)-3-pyrrolidin-1-yl-1-piperidyl]ethanone 2-(cyclopropylmethylamino)-1-[(3…

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) 0.79 7.66 -89.21 3 4 2 41 267.417 5 ↓
Hi High (pH 8-9.5) 0.79 6.3 -35.68 2 4 1 37 266.409 5 ↓

Parameters Provided:

ring.id = 579725
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 = 579725 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=579725&filter.purchasability=annotated

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