Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qnp857gv1qfqtgqs745r2pfo23, 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-(3-thienylmethyl)phthalazin-1-amine N-(3-thienylmethyl)phthalazin-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) 2.29 6.77 -27.13 2 3 1 39 242.327 3 ↓
Mid Mid (pH 6-8) 2.29 6.68 -9.37 1 3 0 38 241.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-(3-thienylmethyl)phthalazin-1-amine 4-methyl-N-(3-thienylmethyl)phth…

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) 2.92 7.26 -26.13 2 3 1 39 256.354 3 ↓
Mid Mid (pH 6-8) 2.92 7.16 -10.22 1 3 0 38 255.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-(3-thienyl)ethyl]phthalazin-1-amine 4-methyl-N-[(1S)-1-(3-thienyl)et…

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) 3.48 8.1 -25.84 2 3 1 39 270.381 3 ↓
Mid Mid (pH 6-8) 3.48 8.01 -10.79 1 3 0 38 269.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-1-(3-thienyl)ethyl]phthalazin-1-amine 4-methyl-N-[(1R)-1-(3-thienyl)et…

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) 3.48 8.1 -25.79 2 3 1 39 270.381 3 ↓
Mid Mid (pH 6-8) 3.48 8.01 -10.78 1 3 0 38 269.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-thienyl)ethyl]phthalazin-1-amine N-[(1S)-1-(3-thienyl)ethyl]phtha…

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) 2.85 7.62 -26.86 2 3 1 39 256.354 3 ↓
Mid Mid (pH 6-8) 2.85 7.52 -10 1 3 0 38 255.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]phthalazin-1-amine N-[(1R)-1-(3-thienyl)ethyl]phtha…

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) 2.85 7.63 -26.85 2 3 1 39 256.354 3 ↓
Mid Mid (pH 6-8) 2.85 7.53 -10 1 3 0 38 255.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1-(3-thienyl)ethyl]phthalazin-1-amine 4-chloro-N-[(1S)-1-(3-thienyl)et…

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) 4.06 7.86 -10.03 1 3 0 38 289.791 3 ↓
Lo Low (pH 4.5-6) 4.06 7.96 -27.4 2 3 1 39 290.799 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(3-thienyl)ethyl]phthalazin-1-amine 4-chloro-N-[(1R)-1-(3-thienyl)et…

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) 4.06 7.87 -10.03 1 3 0 38 289.791 3 ↓
Lo Low (pH 4.5-6) 4.06 7.97 -27.36 2 3 1 39 290.799 3 ↓

Parameters Provided:

ring.id = 179376
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 = 179376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=179376&filter.purchasability=annotated

Embed Link to Results