UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-piperazin-1-yl-5-(trifluoromethyl)-1,3-benzoxazole 2-piperazin-1-yl-5-(trifluoromet…

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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) 2.12 3.76 -49.74 2 4 1 46 272.25 2 ↓
Hi High (pH 8-9.5) 2.12 2.46 -6.3 1 4 0 41 271.242 2 ↓

Analogs

7238
7238

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Popular Name: 5,7-dimethyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole 5,7-dimethyl-2-(4-methylpiperazi…

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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) 2.65 4.85 -41.66 1 4 1 34 246.334 1 ↓

Analogs

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Popular Name: 5-chloro-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole 5-chloro-7-methyl-2-(4-methylpip…

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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) 2.88 4.69 -41.66 1 4 1 34 266.752 1 ↓

Analogs

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Popular Name: 5-chloro-7-methyl-2-piperazin-1-yl-1,3-benzoxazole 5-chloro-7-methyl-2-piperazin-1-…

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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) 2.28 2.43 -47.37 2 4 1 46 252.725 1 ↓

Analogs

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Popular Name: 2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-1,3-benzoxazole 2-[(3R)-4-(2-methoxyethyl)-3-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) 2.16 3.46 -8.3 0 5 0 42 275.352 4 ↓
Mid Mid (pH 6-8) 2.16 5.6 -38.73 1 5 1 43 276.36 4 ↓

Analogs

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Popular Name: 2-[(3S)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-1,3-benzoxazole 2-[(3S)-4-(2-methoxyethyl)-3-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) 2.16 3.08 -8.35 0 5 0 42 275.352 4 ↓
Mid Mid (pH 6-8) 2.16 5.27 -38.58 1 5 1 43 276.36 4 ↓

Analogs

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Popular Name: N-isopropyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]acetamide N-isopropyl-2-[4-(5-methyl-1,3-b…

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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) 2.55 3.51 -12.5 1 6 0 62 316.405 4 ↓
Lo Low (pH 4.5-6) 2.55 5.69 -46 2 6 1 63 317.413 4 ↓

Analogs

19138
19138

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Popular Name: methyl methyl

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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 3.63 -11.48 0 6 0 59 275.308 4 ↓
Lo Low (pH 4.5-6) 1.71 5.76 -46.92 1 6 1 60 276.316 4 ↓

Analogs

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Popular Name: 4-(1,3-benzoxazol-2-yl)-N,N-diethyl-piperazine-1-carboxamide 4-(1,3-benzoxazol-2-yl)-N,N-diet…

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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) 2.49 5.92 -12.33 0 6 0 53 302.378 3 ↓

Parameters Provided:

ring.id = 122845
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 = 122845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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