Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_d71m3erst1m5viovt8qlio7vn5, 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: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-chloro-4-fluoro-benza N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 5.51 11.44 -44.06 1 7 -1 96 442.902 4 ↓
Mid Mid (pH 6-8) 5.05 12.85 -12.25 2 7 0 93 443.91 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-3-cyano-benzamide N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 4.47 11.24 -45.79 1 8 -1 120 415.477 4 ↓
Mid Mid (pH 6-8) 4.01 12.66 -15.08 2 8 0 116 416.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-4-cyano-benzamide N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 4.49 11.26 -46.55 1 8 -1 120 415.477 4 ↓
Mid Mid (pH 6-8) 4.03 12.66 -14.78 2 8 0 116 416.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-3-(dimethylamino)benzam N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 4.82 11.24 -50.46 1 8 -1 99 433.536 5 ↓
Mid Mid (pH 6-8) 4.36 12.67 -15.16 2 8 0 96 434.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-(difluoromethylsulfan N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 5.68 12.14 -49.04 1 7 -1 96 472.541 6 ↓
Mid Mid (pH 6-8) 5.22 13.55 -15.09 2 7 0 93 473.549 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-2-(difluoromethylsulfon N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 4.56 9.65 -52.87 1 9 -1 130 504.539 6 ↓
Mid Mid (pH 6-8) 4.10 11.05 -18.84 2 9 0 127 505.547 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-4-(dimethylamino)benzam N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 4.84 11.25 -51.59 1 8 -1 99 433.536 5 ↓
Mid Mid (pH 6-8) 4.38 12.65 -15.24 2 8 0 96 434.544 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-3,5-dichloro-benzamide N-[5-tert-butyl-2-(4-oxo-5,6,7,8…

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) 6.02 11.87 -45.08 1 7 -1 96 459.357 4 ↓
Mid Mid (pH 6-8) 5.56 13.28 -12.24 2 7 0 93 460.365 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[5-tert-butyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]-5-methoxy-benza 2-bromo-N-[5-tert-butyl-2-(4-oxo…

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) 5.53 10.77 -53.12 1 8 -1 105 499.389 5 ↓
Mid Mid (pH 6-8) 5.07 12.19 -16.44 2 8 0 102 500.397 5 ↓

Parameters Provided:

ring.id = 601677
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 = 601677 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=601677&filter.purchasability=annotated

Embed Link to Results