Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_md2j72oraiiofbc13ar5lgr1m1, 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: 3-[3-(1H-pyrazol-3-yl)phenyl]phenol 3-[3-(1H-pyrazol-3-yl)phenyl]phenol

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) 3.26 5.04 -14.18 2 3 0 49 236.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[3-(3-fluoro-4-methoxy-phenyl)phenyl]pyrazol-1-yl]acetamide 2-[3-[3-(3-fluoro-4-methoxy-phen…

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) 2.71 5.71 -26.11 2 5 0 70 325.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-[3-(1H-pyrazol-3-yl)phenyl]aniline 2-fluoro-4-[3-(1H-pyrazol-3-yl)p…

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) 3.34 5.86 -13.77 3 3 0 55 253.28 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[3-[3-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]ethanamine N,N-dimethyl-2-[3-[3-(4-methylsu…

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) 2.73 9.05 -51.24 1 5 1 56 370.498 6 ↓
Hi High (pH 8-9.5) 2.73 6.52 -17.22 0 5 0 55 369.49 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(1H-pyrazol-3-yl)phenyl]benzoic 4-[3-(1H-pyrazol-3-yl)phenyl]ben…

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) 3.67 7.55 -59.22 1 4 -1 69 263.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-methoxy-4-[3-(1H-pyrazol-3-yl)phenyl]phenyl]acetamide N-[2-methoxy-4-[3-(1H-pyrazol-3-…

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) 2.97 6.27 -18.84 2 5 0 67 307.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[3-(1H-pyrazol-3-yl)phenyl]phenyl]methanol [3-[3-(1H-pyrazol-3-yl)phenyl]ph…

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) 3.08 5.21 -13.87 2 3 0 49 250.301 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-[3-(1H-pyrazol-3-yl)phenyl]aniline 2-ethyl-4-[3-(1H-pyrazol-3-yl)ph…

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) 4.09 7.29 -12.44 3 3 0 55 263.344 3 ↓

Parameters Provided:

ring.id = 22510
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 = 22510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=22510&filter.purchasability=annotated

Embed Link to Results