UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48802847
48802847

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Popular Name: 2-(cyclopropylmethylamino)-N-isopropyl-N-(3-pyridylmethyl)acetamide 2-(cyclopropylmethylamino)-N-iso…

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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) 0.80 6.78 -43.26 2 4 1 50 262.377 7 ↓
Hi High (pH 8-9.5) 0.80 5.42 -10.39 1 4 0 45 261.369 7 ↓
Lo Low (pH 4.5-6) 0.80 7.25 -87.5 3 4 2 51 263.385 7 ↓

Analogs

47470127
47470127
48416297
48416297
48802847
48802847

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Popular Name: 2-(cyclopropylmethylamino)-N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)acetamide 2-(cyclopropylmethylamino)-N-(2-…

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) 0.16 7.89 -117.84 3 5 2 54 292.427 9 ↓
Hi High (pH 8-9.5) 0.16 6.53 -56.18 2 5 1 50 291.419 9 ↓

Parameters Provided:

ring.id = 579038
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 = 579038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=579038&filter.purchasability=annotated

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