UCSF
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Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 1.80 9.25 -88.37 3 4 2 45 260.366 4 ↓
Hi High (pH 8-9.5) 1.80 8.41 -11.95 1 4 0 43 258.35 4 ↓
Mid Mid (pH 6-8) 1.80 8.74 -36.7 2 4 1 44 259.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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) 1.80 9.2 -88.46 3 4 2 45 260.366 4 ↓
Hi High (pH 8-9.5) 1.80 8.35 -11.83 1 4 0 43 258.35 4 ↓
Mid Mid (pH 6-8) 1.80 8.68 -36.58 2 4 1 44 259.358 4 ↓

Parameters Provided:

ring.id = 544663
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 = 544663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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