UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37786177
37786177
37786178
37786178

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Popular Name: 2-cyclopropyl-N-[(1S)-1-(2-thienyl)propyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-(2-thien…

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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) 4.51 6.5 -8.86 1 3 0 38 298.411 5 ↓

Analogs

37786177
37786177
37786178
37786178

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Popular Name: 2-cyclopropyl-N-[(1R)-1-(2-thienyl)propyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-(2-thien…

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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) 4.51 7.01 -8.54 1 3 0 38 298.411 5 ↓

Analogs

37786185
37786185
37797286
37797286

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Popular Name: 2-cyclopropyl-N-[(5-methyl-2-thienyl)methyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(5-methyl-2-thi…

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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) 3.67 6.26 -9.11 1 3 0 38 284.384 4 ↓

Analogs

37786188
37786188

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(5-chloro-2-thienyl)methyl]-2…

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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) 4.25 6.05 -9.17 1 3 0 38 304.802 4 ↓

Analogs

37786050
37786050
37797286
37797286

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Popular Name: 2-cyclopropyl-N-(2-thienylmethyl)-1,3-benzoxazol-5-amine 2-cyclopropyl-N-(2-thienylmethyl…

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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) 3.45 5.43 -9 1 3 0 38 270.357 4 ↓

Analogs

37786056
37786056

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Popular Name: 2-cyclopropyl-N-[(3-methyl-2-thienyl)methyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(3-methyl-2-thi…

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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) 3.82 6 -8.86 1 3 0 38 284.384 4 ↓

Analogs

37786001
37786001
38002621
38002621
38002622
38002622
38003491
38003491
38003492
38003492

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(5-bromo-2-thienyl)methyl]-2-…

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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) 4.38 6.16 -9.2 1 3 0 38 349.253 4 ↓

Analogs

37786162
37786162
37786163
37786163

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(1S)-1-(5-chloro-2-thienyl)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) 4.81 6.77 -9.28 1 3 0 38 318.829 4 ↓

Analogs

37786162
37786162
37786163
37786163

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(1R)-1-(5-chloro-2-thienyl)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) 4.81 6.77 -9.28 1 3 0 38 318.829 4 ↓

Analogs

37786082
37786082
37786083
37786083

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Popular Name: 2-cyclopropyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-(5-methy…

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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) 4.23 6.98 -9.12 1 3 0 38 298.411 4 ↓

Analogs

37786082
37786082
37786083
37786083

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Popular Name: 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-(5-methy…

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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) 4.23 6.98 -9.14 1 3 0 38 298.411 4 ↓

Analogs

37786014
37786014
37786015
37786015
38002621
38002621
38002622
38002622

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Popular Name: 2-cyclopropyl-N-[(1S)-1-(2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-(2-thien…

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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) 4.01 6.15 -8.99 1 3 0 38 284.384 4 ↓

Analogs

37786014
37786014
37786015
37786015
38002621
38002621
38002622
38002622

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-(2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-(2-thien…

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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) 4.01 6.15 -8.97 1 3 0 38 284.384 4 ↓

Analogs

37786150
37786150

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(4-bromo-2-thienyl)methyl]-2-…

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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) 4.18 6.04 -9.12 1 3 0 38 349.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-(3-methy…

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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) 4.38 6.7 -9.05 1 3 0 38 298.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-(3-methy…

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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) 4.38 6.69 -9.02 1 3 0 38 298.411 4 ↓

Analogs

37786119
37786119
37786120
37786120

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Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 4.74 6.67 -8.32 1 3 0 38 363.28 4 ↓

Analogs

37786119
37786119
37786120
37786120

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-2-cyclopropyl-1,3-benzoxazol-5-amine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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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) 4.74 6.68 -8.33 1 3 0 38 363.28 4 ↓

Parameters Provided:

ring.id = 126452
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 = 126452 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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