Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_gm3bjmtra7tru8bsimed40nua1, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.32 1.06 -43.67 3 8 1 126 239.211 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.32 0.93 -45.57 3 8 1 126 239.211 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.46 1.17 -39.54 3 5 1 80 208.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.46 1.04 -39.93 3 5 1 80 208.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-ethane-1,2-diamine N-[[5-(2-furyl)-1,2,4-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) -0.53 -1.55 -50.04 3 6 1 83 223.256 5 ↓
Lo Low (pH 4.5-6) -0.53 0.76 -118.7 4 6 2 84 224.264 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-formamido-3-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic (2R)-2-formamido-3-[[5-(2-furyl)…

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) -1.70 2.28 -56.27 1 8 -1 121 296.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-formamido-3-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic (2S)-2-formamido-3-[[5-(2-furyl)…

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) -1.70 2.28 -55.9 1 8 -1 121 296.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 0.08 1.43 -11.85 2 7 0 104 283.309 7 ↓
Lo Low (pH 4.5-6) 0.08 1.78 -46.37 3 7 1 106 284.317 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 0.08 1.49 -11.98 2 7 0 104 283.309 7 ↓
Lo Low (pH 4.5-6) 0.08 1.78 -45.93 3 7 1 106 284.317 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.45 2.36 -11.58 2 7 0 104 297.336 8 ↓
Mid Mid (pH 6-8) 0.45 2.7 -46.07 3 7 1 106 298.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.45 2.42 -11.72 2 7 0 104 297.336 8 ↓
Mid Mid (pH 6-8) 0.45 2.71 -45.62 3 7 1 106 298.344 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[[5-(2-furyl)-1,2,4-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) 0.45 0.51 -44.99 2 6 1 72 237.283 6 ↓
Hi High (pH 8-9.5) 0.45 -0.94 -8.49 1 6 0 67 236.275 6 ↓
Lo Low (pH 4.5-6) 0.45 2.8 -114.29 3 6 2 73 238.291 6 ↓

Analogs

48250961
48250961
49465574
49465574
49465577
49465577
49465636
49465636
49465676
49465676

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 0.62 3.3 -47.03 2 7 1 95 266.277 8 ↓
Hi High (pH 8-9.5) 0.62 1.97 -10.99 1 7 0 90 265.269 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl-isopropyl-amino]butanoic 4-[[5-(2-furyl)-1,2,4-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) 1.12 6.47 -54.88 1 7 0 97 293.323 8 ↓
Hi High (pH 8-9.5) 1.12 4.1 -52.25 0 7 -1 95 292.315 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[tert-butyl-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic 3-[tert-butyl-[[5-(2-furyl)-1,2,…

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 6.3 -42.6 1 7 0 97 293.323 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl-[(1R)-1-methylpropyl]amino]acetic 2-[[5-(2-furyl)-1,2,4-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) 0.20 5.34 -38.36 1 7 0 97 279.296 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl-[(1S)-1-methylpropyl]amino]acetic 2-[[5-(2-furyl)-1,2,4-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) 0.20 5.45 -35.11 1 7 0 97 279.296 7 ↓

Parameters Provided:

ring.id = 25361
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 = 25361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=25361&filter.purchasability=annotated

Embed Link to Results