UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 2.56 -0.09 -13.19 1 6 0 81 339.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 3.19 8.61 -10.95 1 6 0 81 387.848 5 ↓
Hi High (pH 8-9.5) 3.26 6.87 -47.64 0 6 -1 88 386.84 5 ↓

Analogs

25393848
25393848

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-iodophenyl)thiazol-2-yl]pyridine-2-carboxamide N-[4-(4-iodophenyl)thiazol-2-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) 3.47 -2.04 -9.14 1 4 0 55 407.236 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-chloro-N-(4-phenylthiazol-2-yl)pyridine-2-carboxamide N-allyl-4-chloro-N-(4-phenylthia…

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) 4.29 11.61 -14.41 0 4 0 46 355.85 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]pyridine-2-carboxamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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) 2.03 6.11 -13.65 1 6 0 73 341.392 5 ↓

Analogs

5269664
5269664
22560451
22560451

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-4-chloro-pyridine-2-carboxamide N-[4-[4-(3-acetamidopropyl)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) 3.25 7.97 -15.7 2 6 0 84 414.918 7 ↓

Parameters Provided:

ring.id = 6375
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 = 6375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6375&filter.purchasability=annotated

Embed Link to Results