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

35500659
35500659

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Popular Name: 6-[(S)-methylamino(3-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino(3-pyridyl)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) 1.71 1.09 -76.36 2 5 0 79 255.277 3 ↓
Hi High (pH 8-9.5) 1.71 0.08 -47.79 1 5 -1 74 254.269 3 ↓
Mid Mid (pH 6-8) 1.25 2.71 -10.34 2 5 0 71 255.277 3 ↓

Analogs

35500658
35500658

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino(3-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-methylamino(3-pyridyl)met…

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) 1.71 1.09 -76.64 2 5 0 79 255.277 3 ↓
Hi High (pH 8-9.5) 1.71 0.1 -49.11 1 5 -1 74 254.269 3 ↓
Mid Mid (pH 6-8) 1.25 2.71 -9.8 2 5 0 71 255.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-amino-(5-bromo-3-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-amino-(5-bromo-3-pyridyl)…

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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) 2.29 -0.07 -86.85 3 5 0 90 320.146 2 ↓
Hi High (pH 8-9.5) 2.29 -0.4 -48.22 2 5 -1 88 319.138 2 ↓
Mid Mid (pH 6-8) 1.83 2.23 -11.23 3 5 0 85 320.146 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-amino-(5-bromo-3-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-amino-(5-bromo-3-pyridyl)…

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) 2.29 -0.07 -86.86 3 5 0 90 320.146 2 ↓
Hi High (pH 8-9.5) 2.29 -0.4 -49.11 2 5 -1 88 319.138 2 ↓
Mid Mid (pH 6-8) 1.83 2.23 -11.59 3 5 0 85 320.146 2 ↓

Parameters Provided:

ring.id = 18188
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 = 18188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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