UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2038507
2038507
20602873
20602873

Draw Identity 99% 90% 80% 70%

Popular Name: Oxomemazine Oxomemazine

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) 3.50 8 -55.43 1 4 1 42 331.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide N-cyclohexyl-2-(5,5-dioxophenoth…

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) 4.23 6.52 -20.56 1 5 0 66 370.474 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,5-dioxophenothiazin-10-yl)-N-[(1R)-1-phenylethyl]acetamide 2-(5,5-dioxophenothiazin-10-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) 4.29 7.69 -20.43 1 5 0 66 392.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,5-dioxophenothiazin-10-yl)-N-[(1S)-1-phenylethyl]acetamide 2-(5,5-dioxophenothiazin-10-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) 4.29 7.7 -20.41 1 5 0 66 392.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,5-dioxophenothiazin-10-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(5,5-dioxophenothiazin-10-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) 3.73 6.2 -20.62 1 6 0 76 408.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-(5,5-dioxophenothiazin-10-yl)acetamide N-(3-chlorophenyl)-2-(5,5-dioxop…

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) 4.55 7.22 -23.57 1 5 0 66 398.871 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,5-dioxophenothiazin-10-yl)-N-(5-fluoro-2-methyl-phenyl)acetamide 2-(5,5-dioxophenothiazin-10-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) 4.43 7.58 -24.58 1 5 0 66 396.443 3 ↓

Analogs

20602873
20602873

Draw Identity 99% 90% 80% 70%

Popular Name: 10-butylphenothiazine 10-butylphenothiazine

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) 4.16 6.8 -13.79 0 3 0 37 287.384 3 ↓

Parameters Provided:

ring.id = 387
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 = 387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=387&filter.purchasability=annotated

Embed Link to Results