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

Analogs

44685136
44685136
44685138
44685138
44685141
44685141
44685144
44685144
45653931
45653931

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[3-(4-methylpiperazin-1-yl)propyl]chroman-4-amine (4R)-N-[3-(4-methylpiperazin-1-y…

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) 1.11 5.19 -38.2 2 4 1 29 290.431 5 ↓
Mid Mid (pH 6-8) 1.11 6.57 -117.4 3 4 2 34 291.439 5 ↓
Mid Mid (pH 6-8) 1.11 4.23 -45.4 2 4 1 32 290.431 5 ↓

Analogs

44685136
44685136
44685138
44685138
44685141
44685141
44685144
44685144
45653931
45653931

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[3-(4-methylpiperazin-1-yl)propyl]chroman-4-amine (4S)-N-[3-(4-methylpiperazin-1-y…

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) 1.11 5.46 -38.08 2 4 1 29 290.431 5 ↓
Mid Mid (pH 6-8) 1.11 6.45 -117.35 3 4 2 34 291.439 5 ↓
Mid Mid (pH 6-8) 1.11 4.05 -45.93 2 4 1 32 290.431 5 ↓

Parameters Provided:

ring.id = 25437
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 = 25437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=25437&filter.purchasability=annotated

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