Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ammtfebpvpuk7er3n5ufucmjn2, 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: 2-propyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]thiazole 2-propyl-4-[(2,3,4-trimethylpyrr…

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) 3.45 9.32 -6.6 0 2 0 18 248.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]thiazole 2-methyl-4-[(2,3,4-trimethylpyrr…

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) 2.37 7.83 -6.91 0 2 0 18 220.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]thiazole 2-ethyl-4-[(2,3,4-trimethylpyrro…

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) 2.95 8.55 -6.76 0 2 0 18 234.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]thiazole 2-isopropyl-4-[(2,3,4-trimethylp…

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) 3.43 9.12 -6.01 0 2 0 18 248.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-ethylthiazol-4-yl)methyl]-4-nitro-pyrrole-2-carboxylic 1-[(2-ethylthiazol-4-yl)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) 1.67 7.84 -54.71 0 7 -1 104 280.285 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-1-[(2-propylthiazol-4-yl)methyl]pyrrole-2-carboxylic 4-nitro-1-[(2-propylthiazol-4-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) 2.17 8.61 -54.97 0 7 -1 104 294.312 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-isopropylthiazol-4-yl)methyl]-4-nitro-pyrrole-2-carboxylic 1-[(2-isopropylthiazol-4-yl)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) 2.15 8.45 -54.45 0 7 -1 104 294.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-1-[(2-methylthiazol-4-yl)methyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(2-methylthiazol…

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) 1.34 7.43 -60.25 0 4 -1 58 249.315 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-1-[(2-methylthiazol-4-yl)methyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(2-methylthiazol…

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) 1.56 6.62 -13.75 0 3 0 35 234.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(2-methylthiazol-4-yl)methyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(2-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) 1.90 8.1 -10.21 0 3 0 35 282.796 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(2-methylthiazol-4-yl)methyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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) 2.26 8.49 -8.53 0 3 0 35 296.823 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(2-methylthiazol-4-yl)methyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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) 2.26 8.76 -9.85 0 3 0 35 296.823 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methylthiazol-4-yl)methyl]pyrrole-2-carbaldehyde 1-[(2-methylthiazol-4-yl)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) 1.43 5.34 -11.76 0 3 0 35 206.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methylthiazol-4-yl)methyl]pyrrole-2-carboxylic 1-[(2-methylthiazol-4-yl)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) 1.21 6.33 -59.58 0 4 -1 58 221.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methyl-thiazole 4-[(2,5-dimethylpyrrol-1-yl)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) 1.84 6.88 -7.35 0 2 0 18 206.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(pyrrol-1-ylmethyl)thiazole 2-methyl-4-(pyrrol-1-ylmethyl)th…

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) 1.40 5.83 -7.13 0 2 0 18 178.26 2 ↓

Parameters Provided:

ring.id = 324044
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 = 324044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=324044&filter.purchasability=annotated

Embed Link to Results