Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_j9a7i3in04hjr48ls9pjqldja2, 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: 4-[[[2-(diethylaminomethyl)phenyl]methylamino]methyl]-6-ethyl-7-hydroxy-chromen-2-one 4-[[[2-(diethylaminomethyl)pheny…

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) 4.21 11.41 -144.09 4 5 2 71 396.531 9 ↓
Mid Mid (pH 6-8) 4.21 10.16 -52.31 3 5 1 67 395.523 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-chlorophenyl)methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one 4-[[(4-chlorophenyl)methyl-methy…

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) 3.86 8.58 -13.84 0 4 0 43 343.81 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-6,7-dimethyl-chromen-2-one 4-[[(3,4-dimethoxyphenyl)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) 3.59 9.47 -15.57 0 5 0 52 367.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2,4-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one 4-[[(2,4-dimethoxyphenyl)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) 3.22 7.02 -14.23 0 6 0 61 369.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one 4-[[(4-fluorophenyl)methyl-methy…

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 8.13 -14.68 0 4 0 43 327.355 5 ↓
Mid Mid (pH 6-8) 3.34 10.45 -68.19 1 4 1 44 328.363 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-7,8-dimethyl-chromen-2-one 4-[[(4-fluorophenyl)methyl-methy…

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) 4.11 10.01 -13.07 0 3 0 33 325.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-7-hydroxy-8-methyl-chromen-2-one 4-[[(4-fluorophenyl)methyl-methy…

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) 3.65 6.68 -14.34 1 4 0 54 327.355 4 ↓
Mid Mid (pH 6-8) 3.65 9.01 -66.68 2 4 1 55 328.363 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]chromen-2-one 7-ethyl-4-[[methyl-[[4-(trifluor…

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) 4.93 11.19 -13.05 0 3 0 33 375.39 6 ↓
Mid Mid (pH 6-8) 4.93 13.52 -66.59 1 3 1 35 376.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(benzyl-propyl-amino)methyl]-7-hydroxy-8-methyl-chromen-2-one 4-[(benzyl-propyl-amino)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) 4.36 10.84 -51.09 2 4 1 55 338.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]methyl]-7-methyl-chromen-2-one 4-[[[4-(difluoromethoxy)phenyl]m…

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) 4.18 9 -14.46 0 4 0 43 359.372 6 ↓

Analogs

6625476
6625476

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2-chlorophenyl)methyl-methyl-amino]methyl]-7,8-dimethyl-chromen-2-one 4-[[(2-chlorophenyl)methyl-methy…

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) 4.58 13.25 -46.85 1 3 1 35 342.846 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methoxy-4-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]chromen-2-one 7-methoxy-4-[[(4-methoxyphenyl)m…

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) 3.23 7.36 -14.94 0 5 0 52 339.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-6,7-dimethyl-chromen-2-one 4-[[(4-methoxyphenyl)methyl-meth…

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) 4.00 9.27 -13.07 0 4 0 43 337.419 5 ↓
Mid Mid (pH 6-8) 4.00 11.61 -60.26 1 4 1 44 338.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[benzyl(4-methoxybutyl)amino]methyl]-7-hydroxy-8-methyl-chromen-2-one 4-[[benzyl(4-methoxybutyl)amino]…

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) 4.01 7.78 -12.09 1 5 0 63 381.472 9 ↓
Mid Mid (pH 6-8) 4.01 9.74 -55.68 2 5 1 64 382.48 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[benzyl(4-methoxybutyl)amino]methyl]-7-methyl-chromen-2-one 4-[[benzyl(4-methoxybutyl)amino]…

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 10.58 -10.88 0 4 0 43 365.473 9 ↓
Mid Mid (pH 6-8) 4.09 12.55 -53.32 1 4 1 44 366.481 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[benzyl(4-methoxybutyl)amino]methyl]-7-methoxy-chromen-2-one 4-[[benzyl(4-methoxybutyl)amino]…

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) 3.70 9.08 -12.4 0 5 0 52 381.472 10 ↓
Mid Mid (pH 6-8) 3.70 11.2 -57.13 1 5 1 53 382.48 10 ↓

Parameters Provided:

ring.id = 23973
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 = 23973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=23973&filter.purchasability=annotated

Embed Link to Results