UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2R,3R,5S)-3-(5,7-diaminotriazolo[5,4-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (1S,2R,3R,5S)-3-(5,7-diaminotria…

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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) -2.27 -5.15 -14.28 7 10 0 169 281.276 2 ↓
Mid Mid (pH 6-8) -2.27 -9.15 -36.84 8 10 1 170 282.284 2 ↓
Mid Mid (pH 6-8) -2.27 -4.85 -40.62 8 10 1 170 282.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3R)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol (1S,2R,3R)-3-(7-aminotriazolo[4,…

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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) -1.54 -1.46 -12.54 4 8 0 123 236.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3R)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol (1R,2R,3R)-3-(7-aminotriazolo[4,…

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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) -1.54 -2.56 -10.37 4 8 0 123 236.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,3S)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2-diol (1R,2R,3S)-3-(7-aminotriazolo[4,…

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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) -1.54 -3.03 -10.56 4 8 0 123 236.235 1 ↓

Parameters Provided:

ring.id = 133168
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 = 133168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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