UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

532228
532228

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Popular Name: 1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propan-1-amine 1-[5-[(2-chlorophenyl)methylsulf…

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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) 1.00 -3.84 -44.35 3 4 1 66 298.819 5 ↓

Analogs

7605052
7605052
40173802
40173802

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Popular Name: 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile 2-[(5-propyl-1,3,4-oxadiazol-2-y…

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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) 2.52 -0.21 -11.51 0 4 0 62 259.334 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.75 -3.27 -7.45 1 6 0 77 335.429 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.01 -3.7 -7.9 1 6 0 77 355.847 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.78 -3.23 -7.47 1 6 0 77 335.429 7 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.03 -3.7 -7.77 1 6 0 77 355.847 7 ↓

Analogs

7997186
7997186

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Popular Name: tert-butyl tert-butyl

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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) 2.80 -3.23 -7.47 1 6 0 77 335.429 7 ↓

Analogs

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Popular Name: (2R)-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenyl-ethanamine (2R)-N-methyl-2-[(5-methyl-1,3,4…

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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) 1.51 2.36 -37.8 2 4 1 56 250.347 5 ↓
Hi High (pH 8-9.5) 1.51 0.8 -7.81 1 4 0 51 249.339 5 ↓

Analogs

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Popular Name: (2S)-N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenyl-ethanamine (2S)-N-methyl-2-[(5-methyl-1,3,4…

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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) 1.51 2.29 -37.85 2 4 1 56 250.347 5 ↓
Hi High (pH 8-9.5) 1.51 0.96 -7.19 1 4 0 51 249.339 5 ↓

Analogs

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Popular Name: 3-{[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}benzoic acid 3-{[(5-methyl-1,3,4-oxadiazol-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) 1.63 2.04 -54.76 0 5 -1 79 249.271 4 ↓

Analogs

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Popular Name: 2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]acetic 2-[4-[(5-methyl-1,3,4-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) 1.17 3.72 -48.71 0 5 -1 79 263.298 5 ↓

Analogs

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Popular Name: 2-methyl-5-[(3-nitrobenzyl)thio]-1,3,4-oxadiazole 2-methyl-5-[(3-nitrobenzyl)thio]…

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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) 1.68 3.09 -12.59 0 6 0 85 251.267 4 ↓

Analogs

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Popular Name: (3S)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propan-1-amine (3S)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 0.80 1.04 -53.66 3 4 1 67 250.347 5 ↓

Analogs

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Popular Name: (3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propan-1-amine (3R)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 0.80 1.03 -53.55 3 4 1 67 250.347 5 ↓

Analogs

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Popular Name: (3S)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanenitrile (3S)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 1.19 3.39 -12.84 0 4 0 63 245.307 4 ↓

Analogs

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Popular Name: (3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanenitrile (3R)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 1.19 3.38 -12.87 0 4 0 63 245.307 4 ↓

Analogs

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Popular Name: (3S)-N'-hydroxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanamidine (3S)-N'-hydroxy-3-[(5-methyl-1,3…

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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) 1.01 0.06 -10.2 3 6 0 98 278.337 5 ↓

Analogs

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Popular Name: (3R)-N'-hydroxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanamidine (3R)-N'-hydroxy-3-[(5-methyl-1,3…

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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) 1.01 -0 -10.39 3 6 0 98 278.337 5 ↓

Analogs

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Popular Name: (3S)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanamidine (3S)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 1.09 0.51 -43.29 4 5 1 91 263.346 5 ↓

Analogs

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Popular Name: (3R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-phenyl-propanamidine (3R)-3-[(5-methyl-1,3,4-oxadiazo…

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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) 1.09 0.62 -43.43 4 5 1 91 263.346 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(methylsulfanylmethyl)-1,3,4-oxadiazole 2-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 2.78 4.46 -8.25 0 3 0 39 284.381 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(methylsulfanylmethyl)-1,3,4-oxadiazole 2-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 2.78 4.46 -8.22 0 3 0 39 284.381 5 ↓

Analogs

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Popular Name: 2-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole 2-[(3-bromo-4-fluoro-phenyl)meth…

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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) 3.15 4.22 -9.57 0 3 0 39 349.25 5 ↓

Analogs

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Popular Name: 2-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole 2-[(5-fluoro-2-nitro-phenyl)meth…

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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) 2.30 4.21 -12.26 0 6 0 85 315.351 6 ↓

Analogs

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Popular Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole 2-[(2-methyl-3-nitro-phenyl)meth…

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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) 2.56 4.76 -12.84 0 6 0 85 311.388 6 ↓

Parameters Provided:

ring.id = 3922
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 = 3922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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