Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ejfkv44t3gmuqkc0mkgd6ro8f5, 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: 5-iodo-2-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 5-iodo-2-[[(1S)-1-(2H-tetrazol-5…

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) 1.92 3.26 -86.96 2 9 -2 134 400.136 4 ↓
Lo Low (pH 4.5-6) 1.92 3.25 -44.13 3 9 -1 136 401.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-iodo-2-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 5-iodo-2-[[(1R)-1-(2H-tetrazol-5…

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) 1.92 3.17 -86.12 2 9 -2 134 400.136 4 ↓
Lo Low (pH 4.5-6) 1.92 3.17 -43.74 3 9 -1 136 401.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-iodo-2-(1H-tetrazol-5-ylmethylcarbamoylamino)benzoic 5-iodo-2-(1H-tetrazol-5-ylmethyl…

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 2.49 -86.59 2 9 -2 134 386.109 4 ↓
Lo Low (pH 4.5-6) 1.36 2.49 -44.2 3 9 -1 136 387.117 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-(1H-tetrazol-5-ylmethylcarbamoylamino)benzoic 3,5-dibromo-2-(1H-tetrazol-5-ylm…

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) 1.83 2.44 -86.5 2 9 -2 134 418.005 4 ↓
Lo Low (pH 4.5-6) 1.83 2.44 -43.33 3 9 -1 136 419.013 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-2-(1H-tetrazol-5-ylmethylcarbamoylamino)benzoic 3,5-dimethyl-2-(1H-tetrazol-5-yl…

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) 0.17 2.76 -97.87 2 9 -2 134 288.267 4 ↓
Lo Low (pH 4.5-6) 0.17 2.76 -52.38 3 9 -1 136 289.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 3-bromo-2-[[(1S)-1-(2H-tetrazol-…

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) 1.63 2.71 -92.39 2 9 -2 134 353.136 4 ↓
Lo Low (pH 4.5-6) 1.63 2.71 -47.38 3 9 -1 136 354.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 3-bromo-2-[[(1R)-1-(2H-tetrazol-…

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) 1.63 2.69 -93.14 2 9 -2 134 353.136 4 ↓
Lo Low (pH 4.5-6) 1.63 2.69 -48.85 3 9 -1 136 354.144 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-(1H-tetrazol-5-ylmethylcarbamoylamino)benzoic 3-bromo-2-(1H-tetrazol-5-ylmethy…

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) 1.07 1.98 -93.29 2 9 -2 134 339.109 4 ↓
Lo Low (pH 4.5-6) 1.07 1.98 -46.73 3 9 -1 136 340.117 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[[(1S)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 3-fluoro-4-[[(1S)-1-(2H-tetrazol…

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) 0.82 1.88 -83.8 2 9 -2 134 292.23 4 ↓
Lo Low (pH 4.5-6) 0.82 1.88 -49.15 3 9 -1 136 293.238 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[[(1R)-1-(2H-tetrazol-5-yl)ethyl]carbamoylamino]benzoic 3-fluoro-4-[[(1R)-1-(2H-tetrazol…

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) 0.82 1.88 -83.64 2 9 -2 134 292.23 4 ↓
Lo Low (pH 4.5-6) 0.82 1.88 -49.08 3 9 -1 136 293.238 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(1H-tetrazol-5-ylmethylcarbamoylamino)benzoic 3-fluoro-4-(1H-tetrazol-5-ylmeth…

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) 0.26 1.18 -83.13 2 9 -2 134 278.203 4 ↓
Lo Low (pH 4.5-6) 0.26 1.18 -50 3 9 -1 136 279.211 4 ↓

Parameters Provided:

ring.id = 282728
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 = 282728 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=282728&filter.purchasability=annotated

Embed Link to Results