UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)ethyl]-3-(1,2,4-triazol-4- N-[(1S)-1-(6,7,8,9-tetrahydro-5H…

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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) -0.72 8.17 -67.43 3 9 1 107 353.41 4 ↓
Hi High (pH 8-9.5) -0.72 6.83 -18.09 2 9 0 103 352.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-yl)ethyl]-3-(1,2,4-triazol-4- N-[(1R)-1-(6,7,8,9-tetrahydro-5H…

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) -0.72 8.17 -67.41 3 9 1 107 353.41 4 ↓
Hi High (pH 8-9.5) -0.72 6.84 -18.31 2 9 0 103 352.402 4 ↓

Parameters Provided:

ring.id = 578963
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 = 578963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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