UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(2R)-1-butyl-2-piperidyl]methylamino]-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-[[(2R)-1-butyl-2-piperidyl]met…

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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) 4.47 12 -53.01 2 6 1 64 398.556 7 ↓
Hi High (pH 8-9.5) 4.47 10.11 -13.72 1 6 0 63 397.548 7 ↓
Lo Low (pH 4.5-6) 4.47 12.38 -91.57 3 6 2 65 399.564 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-1-butyl-2-piperidyl]methylamino]-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-[[(2S)-1-butyl-2-piperidyl]met…

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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) 4.47 12.03 -53.28 2 6 1 64 398.556 7 ↓
Hi High (pH 8-9.5) 4.47 10.12 -13.71 1 6 0 63 397.548 7 ↓
Lo Low (pH 4.5-6) 4.47 12.41 -91.94 3 6 2 65 399.564 7 ↓

Parameters Provided:

ring.id = 142692
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 = 142692 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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