UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60219603
60219603

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,10R,13R,14R,16S,17S)-17-acetyl-2-[(2S)-2-[3-(diethylamino)-2-pyridyl]piperazin-1-yl]-10,13,16-tr (8S,10R,13R,14R,16S,17S)-17-acet…

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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) 5.11 15.91 -42.37 2 6 1 70 557.803 6 ↓
Hi High (pH 8-9.5) 5.11 14.57 -12.81 1 6 0 66 556.795 6 ↓
Lo Low (pH 4.5-6) 0.69 15.97 -108.79 2 6 2 70 558.811 5 ↓

Analogs

60219598
60219598

Draw Identity 99% 90% 80% 70%

Popular Name: (8S,10R,13R,14R,16S,17S)-17-acetyl-2-[(2R)-2-[3-(diethylamino)-2-pyridyl]piperazin-1-yl]-10,13,16-tr (8S,10R,13R,14R,16S,17S)-17-acet…

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) 5.11 15.72 -41.32 2 6 1 70 557.803 6 ↓
Hi High (pH 8-9.5) 5.11 14.41 -13.62 1 6 0 66 556.795 6 ↓
Lo Low (pH 4.5-6) 0.69 16 -110.32 2 6 2 70 558.811 5 ↓

Parameters Provided:

ring.id = 198314
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 = 198314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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