UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-(dimethylamino)propylamino]-4-[[(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]amino]cyclobut-3 3-[3-(dimethylamino)propylamino]…

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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) 0.03 6.2 -120.82 3 7 0 71 401.555 9 ↓
Hi High (pH 8-9.5) 0.03 3.77 -60.69 2 7 0 69 400.547 9 ↓
Hi High (pH 8-9.5) 0.03 3.81 -59.34 2 7 0 69 400.547 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(dimethylamino)propylamino]-4-[[(2S)-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]amino]cyclobut-3 3-[3-(dimethylamino)propylamino]…

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) 0.03 6.6 -142.85 3 7 0 71 401.555 9 ↓
Hi High (pH 8-9.5) 0.03 4.17 -58.92 2 7 0 69 400.547 9 ↓
Hi High (pH 8-9.5) 0.03 4.21 -56.85 2 7 0 69 400.547 9 ↓

Parameters Provided:

ring.id = 584999
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 = 584999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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