UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1R)-1-(3-benzyl-1,2,4-oxadiazol…

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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) 3.41 5.74 -47.06 3 4 1 67 280.351 4 ↓
Mid Mid (pH 6-8) 3.41 5.47 -7.45 2 4 0 65 279.343 4 ↓

Analogs

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Popular Name: (1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-phenyl-ethanamine (1S)-1-(3-benzyl-1,2,4-oxadiazol…

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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) 3.41 5.65 -48.6 3 4 1 67 280.351 4 ↓
Mid Mid (pH 6-8) 3.41 5.44 -6.28 2 4 0 65 279.343 4 ↓

Analogs

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Popular Name: 4-[[5-[(4-aminophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]phenol 4-[[5-[(4-aminophenyl)methyl]-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) 2.55 3.13 -11.86 3 5 0 85 281.315 4 ↓

Analogs

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Popular Name: 3-[(4-bromophenyl)methyl]-5-[(S)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-[(4-bromophenyl)methyl]-5-[(S)…

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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) 4.96 9.04 -7.17 0 3 0 39 363.642 4 ↓

Analogs

53129420
53129420
53129423
53129423

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Popular Name: 3-[(4-bromophenyl)methyl]-5-[(R)-chloro(phenyl)methyl]-1,2,4-oxadiazole 3-[(4-bromophenyl)methyl]-5-[(R)…

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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) 4.96 9.04 -7.23 0 3 0 39 363.642 4 ↓

Analogs

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Popular Name: (S)-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (S)-[3-[(4-bromophenyl)methyl]-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) 3.77 5.89 -50.69 3 4 1 67 345.22 4 ↓
Hi High (pH 8-9.5) 3.77 5.58 -7.14 2 4 0 65 344.212 4 ↓

Analogs

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Popular Name: (R)-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (R)-[3-[(4-bromophenyl)methyl]-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) 3.77 5.9 -49.43 3 4 1 67 345.22 4 ↓
Hi High (pH 8-9.5) 3.77 5.59 -6.68 2 4 0 65 344.212 4 ↓

Analogs

44265384
44265384
44265388
44265388

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Popular Name: 5-[(S)-chloro(phenyl)methyl]-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole 5-[(S)-chloro(phenyl)methyl]-3-[…

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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 8.92 -7.88 0 3 0 39 319.191 4 ↓

Analogs

44265384
44265384
44265388
44265388

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Popular Name: 5-[(R)-chloro(phenyl)methyl]-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole 5-[(R)-chloro(phenyl)methyl]-3-[…

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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 8.92 -7.87 0 3 0 39 319.191 4 ↓

Analogs

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Popular Name: 4-[[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline 4-[[3-[(3-chlorophenyl)methyl]-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) 3.69 6.39 -8.78 2 4 0 65 299.761 4 ↓

Analogs

44265529
44265529
44265532
44265532

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Popular Name: (S)-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (S)-[3-[(3-chlorophenyl)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) 3.61 5.78 -50.95 3 4 1 67 300.769 4 ↓
Hi High (pH 8-9.5) 3.61 5.47 -7.84 2 4 0 65 299.761 4 ↓

Analogs

44265529
44265529
44265532
44265532

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Popular Name: (R)-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenyl-methanamine (R)-[3-[(3-chlorophenyl)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) 3.61 5.79 -50.05 3 4 1 67 300.769 4 ↓
Hi High (pH 8-9.5) 3.61 5.47 -7.29 2 4 0 65 299.761 4 ↓

Analogs

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Popular Name: 5-[(S)-chloro(phenyl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(S)-chloro(phenyl)methyl]-3-[…

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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) 4.32 8.48 -7.76 0 3 0 39 302.736 4 ↓

Analogs

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Popular Name: 5-[(R)-chloro(phenyl)methyl]-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole 5-[(R)-chloro(phenyl)methyl]-3-[…

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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) 4.32 8.48 -7.88 0 3 0 39 302.736 4 ↓

Analogs

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Popular Name: 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline 4-[[3-[(4-fluorophenyl)methyl]-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) 3.20 5.95 -8.47 2 4 0 65 283.306 4 ↓

Parameters Provided:

ring.id = 30215
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 = 30215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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