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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37786057
37786057
37786087
37786087

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Popular Name: 4-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]phenol 4-[[(2-cyclopropyl-1,3-benzoxazo…

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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) 3.07 3.46 -10.8 2 4 0 58 280.327 4 ↓

Analogs

37786088
37786088

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

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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 6.73 -9.16 1 3 0 38 298.773 4 ↓

Analogs

37786089
37786089

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

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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) 4.36 6.94 -9.31 1 3 0 38 343.224 4 ↓

Analogs

37786090
37786090

Draw Identity 99% 90% 80% 70%

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

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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 6.83 -9.31 1 3 0 38 298.773 4 ↓

Analogs

37786069
37786069
37786091
37786091

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

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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) 3.71 6.38 -9.96 1 3 0 38 282.318 4 ↓

Analogs

37786092
37786092

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

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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) 4.33 6.93 -9.32 1 3 0 38 343.224 4 ↓

Analogs

37786032
37786032
37786071
37786071
37786154
37786154

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

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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) 3.69 6.38 -9.98 1 3 0 38 282.318 4 ↓

Analogs

37786027
37786027
37786085
37786085

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

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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) 3.95 7.04 -8.46 1 3 0 38 278.355 4 ↓

Analogs

37786028
37786028

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

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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) 4.00 6.99 -8.65 1 3 0 38 278.355 4 ↓

Analogs

37786029
37786029
43393670
43393670

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

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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) 3.97 6.98 -8.62 1 3 0 38 278.355 4 ↓

Analogs

37786063
37786063

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]phenol 2-[[(2-cyclopropyl-1,3-benzoxazo…

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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) 3.49 3.5 -9.61 2 4 0 58 280.327 4 ↓

Analogs

37786166
37786166

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Popular Name: N-benzyl-2-cyclopropyl-1,3-benzoxazol-5-amine N-benzyl-2-cyclopropyl-1,3-benzo…

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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) 3.55 6.31 -8.66 1 3 0 38 264.328 4 ↓

Analogs

37785993
37785993
37786070
37786070

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]phenol 3-[[(2-cyclopropyl-1,3-benzoxazo…

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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) 3.05 3.46 -10.45 2 4 0 58 280.327 4 ↓

Analogs

37786167
37786167

Draw Identity 99% 90% 80% 70%

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

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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) 4.31 6.81 -9.1 1 3 0 38 343.224 4 ↓

Analogs

37786004
37786004

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

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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) 4.20 6.82 -9.31 1 3 0 38 298.773 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1S)-1-phenylethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1S)-1-phenylet…

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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) 4.11 7.05 -8.77 1 3 0 38 278.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-5-amine 2-cyclopropyl-N-[(1R)-1-phenylet…

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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) 4.11 7.05 -8.77 1 3 0 38 278.355 4 ↓

Analogs

37785997
37785997
37786031
37786031
37786069
37786069

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

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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) 3.66 6.34 -9.99 1 3 0 38 282.318 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-(4-fluorophenyl)acetamide (2S)-2-[(2-cyclopropyl-1,3-benzo…

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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) 2.63 3.31 -16.62 3 5 0 81 325.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-(4-fluorophenyl)acetamide (2R)-2-[(2-cyclopropyl-1,3-benzo…

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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) 2.63 3.32 -16.65 3 5 0 81 325.343 5 ↓

Parameters Provided:

ring.id = 126461
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 = 126461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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