UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35500727
35500727
35500728
35500728
35500729
35500729

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-[(2S)-tetrahydrofuran-2-yl]methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino-[(2S)-tetrahy…

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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) 1.27 3.09 -50.71 3 5 1 72 249.29 3 ↓
Hi High (pH 8-9.5) 1.73 -0.49 -47.7 1 5 -1 70 247.274 3 ↓
Hi High (pH 8-9.5) 1.27 2.14 -7.62 2 5 0 67 248.282 3 ↓

Analogs

35500728
35500728
35500729
35500729
35500726
35500726

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-methylamino-[(2S)-tetrahydrofuran-2-yl]methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-methylamino-[(2S)-tetrahy…

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) 1.27 2.8 -55.65 3 5 1 72 249.29 3 ↓
Hi High (pH 8-9.5) 1.73 -0.97 -51.38 1 5 -1 70 247.274 3 ↓
Hi High (pH 8-9.5) 1.27 1.67 -9.23 2 5 0 67 248.282 3 ↓

Analogs

35500729
35500729
35500726
35500726
35500727
35500727

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-methylamino-[(2R)-tetrahydrofuran-2-yl]methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-methylamino-[(2R)-tetrahy…

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) 1.27 2.8 -55.9 3 5 1 72 249.29 3 ↓
Hi High (pH 8-9.5) 1.73 -1.01 -49.57 1 5 -1 70 247.274 3 ↓
Hi High (pH 8-9.5) 1.27 1.61 -9.53 2 5 0 67 248.282 3 ↓

Analogs

35500726
35500726
35500727
35500727
35500728
35500728

Draw Identity 99% 90% 80% 70%

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

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) 1.27 3.07 -50.13 3 5 1 72 249.29 3 ↓
Hi High (pH 8-9.5) 1.73 -0.62 -49.7 1 5 -1 70 247.274 3 ↓
Hi High (pH 8-9.5) 1.27 2.01 -8.01 2 5 0 67 248.282 3 ↓

Parameters Provided:

ring.id = 18204
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 = 18204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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