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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-yl-propan-2-amine (2S)-N-(2,1,3-benzoxadiazol-5-yl…

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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) 1.45 5.9 -47.59 2 6 1 70 258.305 5 ↓
Mid Mid (pH 6-8) 1.45 5.37 -12.3 1 6 0 69 257.297 5 ↓
Mid Mid (pH 6-8) 1.45 6.63 -65.29 2 6 1 73 258.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-yl-propan-2-amine (2R)-N-(2,1,3-benzoxadiazol-5-yl…

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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) 1.45 5.95 -40.51 2 6 1 70 258.305 5 ↓
Mid Mid (pH 6-8) 1.45 5.44 -16.28 1 6 0 69 257.297 5 ↓
Mid Mid (pH 6-8) 1.45 6.87 -129.97 3 6 2 75 259.313 5 ↓

Parameters Provided:

ring.id = 565678
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 = 565678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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