UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25451140
25451140
25537344
25537344
25537349
25537349

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-thiazol-2-yl]-2-hydroxy-benzamide 5-chloro-N-[5-[1-(difluoromethyl…

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) 4.10 7.35 -25.23 2 6 0 80 384.795 4 ↓
Hi High (pH 8-9.5) 3.62 7.46 -128.73 0 6 -2 89 382.779 4 ↓
Mid Mid (pH 6-8) 4.10 8.39 -62.91 1 6 -1 83 383.787 4 ↓

Analogs

25451136
25451136
25451152
25451152
25514415
25514415

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-thiazol-2-yl]-2,4-dimethyl-benzamide N-[5-[1-(difluoromethyl)imidazol…

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) 3.78 9.72 -21.12 1 5 0 60 362.405 4 ↓
Hi High (pH 8-9.5) 3.85 8.8 -54.11 0 5 -1 66 361.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylsulfonylamino)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]benzamide 3-(ethylsulfonylamino)-N-[4-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) 1.99 6.01 -26.4 2 8 0 106 405.505 6 ↓
Hi High (pH 8-9.5) 2.05 5.16 -102.41 0 8 -2 114 403.489 6 ↓
Mid Mid (pH 6-8) 1.99 6.08 -56.38 1 8 -1 108 404.497 6 ↓

Analogs

25143680
25143680
25143725
25143725

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]benzamide 2-methoxy-N-[4-methyl-5-(1-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) 2.96 8.84 -24.07 1 6 0 69 328.397 4 ↓
Hi High (pH 8-9.5) 2.48 7.92 -54.35 0 6 -1 75 327.389 4 ↓

Analogs

25143680
25143680
25143766
25143766
25143816
25143816
25455098
25455098
25455103
25455103

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]benzamide 4-methyl-N-[4-methyl-5-(1-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) 2.85 8.97 -20.71 1 5 0 60 312.398 3 ↓
Hi High (pH 8-9.5) 2.92 8.06 -49.82 0 5 -1 66 311.39 3 ↓

Parameters Provided:

ring.id = 122278
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 = 122278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=122278&filter.purchasability=annotated

Embed Link to Results