UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43912778
43912778
43912781
43912781
43912784
43912784
43912787
43912787
43916310
43916310

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Popular Name: (1R)-N-(2-methyl-2-morpholino-propyl)indan-1-amine (1R)-N-(2-methyl-2-morpholino-pr…

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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) 2.63 5.22 -2.12 1 3 0 24 274.408 4 ↓
Mid Mid (pH 6-8) 2.63 6.39 -39.25 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.63 7.11 -30.55 2 3 1 26 275.416 4 ↓

Analogs

43897869
43897869
43897871
43897871
43897873
43897873
43898036
43898036
43898037
43898037

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Popular Name: (1S)-N-(2-methyl-2-morpholino-propyl)indan-1-amine (1S)-N-(2-methyl-2-morpholino-pr…

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) 2.63 5.22 -3.25 1 3 0 24 274.408 4 ↓
Mid Mid (pH 6-8) 2.63 6.37 -38.84 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.63 7.09 -35.11 2 3 1 26 275.416 4 ↓

Parameters Provided:

ring.id = 23312
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 = 23312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=23312&filter.purchasability=annotated

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