UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-(2-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(2-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.79 1.44 -9.23 0 4 0 52 268.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(2-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(2-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.79 1.44 -9.21 0 4 0 52 268.114 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-(6-methyl-2-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 2.06 -9.16 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 1.84 2.48 -32.66 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(6-methyl-2-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(6-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.84 2.05 -9.16 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 1.84 2.48 -32.63 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-bromopropyl]-5-(3-methyl-2-pyridyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.19 2.7 -8.89 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 2.19 3.14 -36.67 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-bromopropyl]-5-(3-methyl-2-pyridyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.19 2.7 -8.9 0 4 0 52 282.141 3 ↓
Lo Low (pH 4.5-6) 2.19 3.14 -36.6 1 4 1 53 283.149 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(2-pyridyl)-1,3,4-oxad…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.42 -1.8 -45.34 3 5 1 79 205.241 3 ↓
Hi High (pH 8-9.5) -1.42 -2.16 -10.17 2 5 0 78 204.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(2-pyridyl)-1,3,4-oxad…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.42 -1.8 -45.36 3 5 1 79 205.241 3 ↓
Hi High (pH 8-9.5) -1.42 -2.13 -8.79 2 5 0 78 204.233 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(6-methyl-2-pyridyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.36 -1.19 -45.32 3 5 1 79 219.268 3 ↓
Hi High (pH 8-9.5) -1.36 -1.52 -8.85 2 5 0 78 218.26 3 ↓
Lo Low (pH 4.5-6) -1.36 -0.77 -88.49 4 5 2 81 220.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(6-methyl-2-pyridyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.36 -1.19 -45.36 3 5 1 79 219.268 3 ↓
Hi High (pH 8-9.5) -1.36 -1.55 -10.19 2 5 0 78 218.26 3 ↓
Lo Low (pH 4.5-6) -1.36 -0.77 -88.54 4 5 2 81 220.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.02 -0.55 -45.03 3 5 1 79 219.268 3 ↓
Hi High (pH 8-9.5) -1.02 -0.88 -8.53 2 5 0 78 218.26 3 ↓
Lo Low (pH 4.5-6) -1.02 -0.11 -92.09 4 5 2 81 220.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.02 -0.55 -45.11 3 5 1 79 219.268 3 ↓
Hi High (pH 8-9.5) -1.02 -0.91 -9.88 2 5 0 78 218.26 3 ↓
Lo Low (pH 4.5-6) -1.02 -0.11 -92.13 4 5 2 81 220.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.84 -0.06 -40.52 2 5 1 68 219.268 4 ↓
Hi High (pH 8-9.5) 0.84 -1.08 -8.82 1 5 0 64 218.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.84 -0.04 -40.53 2 5 1 68 219.268 4 ↓
Hi High (pH 8-9.5) 0.84 -1.39 -10.94 1 5 0 64 218.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ((5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)thio)acetic acid ((5-pyridin-2-yl-1,3,4-oxadiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.63 -0.37 -47.86 0 6 -1 92 236.232 4 ↓

Analogs

6238290
6238290

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic 3-[[5-(2-pyridyl)-1,3,4-oxadiazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.90 -3.25 -51.71 0 6 -1 91 250.259 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acetamide, 2-[[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI) Acetamide, 2-[[5-(2-pyridinyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 -3.37 -14.71 2 6 0 95 236.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetone 1-[[5-(2-pyridyl)-1,3,4-oxadiazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.93 -2.44 -12.85 0 5 0 68 235.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetamide N,N-dimethyl-2-[[5-(2-pyridyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.29 0.11 -14.25 0 6 0 72 264.31 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Propanamide, 2-[[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI) Propanamide, 2-[[5-(2-pyridinyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 -5.26 -13.84 2 6 0 94 250.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Propanamide, 2-[[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI) Propanamide, 2-[[5-(2-pyridinyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.48 -5.26 -13.75 2 6 0 94 250.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Acetonitrile, [[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]- (9CI) Acetonitrile, [[5-(2-pyridinyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 0.36 -11.59 0 5 0 76 218.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(6-methyl-2-pyridyl)-1,3,4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.04 1.39 -48.52 0 6 -1 92 232.219 4 ↓
Lo Low (pH 4.5-6) -0.04 1.81 -56.78 1 6 0 93 233.227 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(6-methyl-2-pyridyl)-1,3,4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.23 2.17 -53.83 0 6 -1 92 246.246 5 ↓
Lo Low (pH 4.5-6) 0.23 2.6 -61.48 1 6 0 93 247.254 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(2-pyridyl)-1,3,4-oxadiazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.69 2.33 -51.34 0 6 -1 92 246.246 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(6-methyl-2-pyridyl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(6-methyl-2-pyridyl)-1,3,4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.74 2.95 -51.44 0 6 -1 92 260.273 6 ↓
Lo Low (pH 4.5-6) 0.74 3.38 -62.88 1 6 0 93 261.281 6 ↓

Parameters Provided:

ring.id = 26230
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 = 26230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26230&filter.purchasability=annotated

Embed Link to Results