UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(4-methylpiperazin-1-yl)propyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide N-[3-(4-methylpiperazin-1-yl)pro…

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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) 0.14 5.91 -65.23 3 8 1 88 414.53 9 ↓
Hi High (pH 8-9.5) 0.14 3.44 -32.21 2 8 0 87 413.522 9 ↓
Mid Mid (pH 6-8) 0.14 5.77 -68.26 3 8 1 88 414.53 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanamide N-[3-(4-ethylpiperazin-1-yl)prop…

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) 0.51 6.57 -63.94 3 8 1 88 428.557 10 ↓
Hi High (pH 8-9.5) 0.51 4.26 -31.95 2 8 0 87 427.549 10 ↓
Mid Mid (pH 6-8) 0.51 6.57 -68.42 3 8 1 88 428.557 10 ↓

Parameters Provided:

ring.id = 26408
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 = 26408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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