UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(2R)-2-amino-2-cyclopropyl-ethyl]-1,3-benzoxazol-2-one 3-[(2R)-2-amino-2-cyclopropyl-et…

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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) 0.98 5.35 -48.35 3 4 1 63 219.264 3 ↓

Analogs

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Popular Name: 3-[(2S)-2-amino-2-cyclopropyl-ethyl]-1,3-benzoxazol-2-one 3-[(2S)-2-amino-2-cyclopropyl-et…

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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) 0.98 5.57 -38.39 3 4 1 63 219.264 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-1,3-benzoxazol-2-one 3-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) 1.47 4.54 -12.58 1 4 0 55 219.24 3 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-1,3-benzoxazol-2-one 3-[(2S)-2-cyclopropyl-2-hydroxy-…

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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) 1.47 4.73 -11.28 1 4 0 55 219.24 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2R)-2-cyclopropyl-2-(methyla…

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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) 1.89 6.68 -46.23 2 4 1 52 233.291 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2S)-2-cyclopropyl-2-(methyla…

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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) 1.89 6.83 -43.87 2 4 1 52 233.291 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 2.26 7.69 -33.91 2 4 1 52 247.318 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2S)-2-cyclopropyl-2-(ethylam…

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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) 2.26 7.67 -41.99 2 4 1 52 247.318 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2R)-2-cyclopropyl-2-(propyla…

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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) 2.77 8.44 -34.24 2 4 1 52 261.345 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-1,3-benzoxazol-2-one 3-[(2S)-2-cyclopropyl-2-(propyla…

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) 2.77 8.42 -42.62 2 4 1 52 261.345 6 ↓

Parameters Provided:

ring.id = 246237
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 = 246237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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