UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(10-methylacridin-10-ium-9-yl)amino]phenol 4-[(10-methylacridin-10-ium-9-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) 1.54 8.56 -26.27 2 3 1 36 301.369 2 ↓

Analogs

3877669
3877669

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-10-methyl-acridin-10-ium-9-amine N-(4-methoxyphenyl)-10-methyl-ac…

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) 2.08 10.71 -25.55 1 3 1 25 315.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(acridin-9-ylamino)-2-methyl-benzoic 3-(acridin-9-ylamino)-2-methyl-b…

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) 5.62 11.48 -61.4 2 4 0 66 328.371 3 ↓
Hi High (pH 8-9.5) 5.62 11.08 -51.06 1 4 -1 65 327.363 3 ↓

Analogs

41055539
41055539

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)acridin-9-amine N-(2,5-dimethoxyphenyl)acridin-9…

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) 5.73 8.83 -24.52 2 4 1 45 331.395 4 ↓
Hi High (pH 8-9.5) 5.73 8.44 -10.41 1 4 0 43 330.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-acridin-9-ylamino-4-methyl-phenol 2-acridin-9-ylamino-4-methyl-phenol

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) 5.85 8.12 -25.44 3 3 1 46 301.369 2 ↓
Hi High (pH 8-9.5) 5.85 7.72 -8.57 2 3 0 45 300.361 2 ↓

Analogs

39963775
39963775

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4,5-trimethoxyphenyl)acridin-9-amine N-(3,4,5-trimethoxyphenyl)acridi…

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) 5.32 8.91 -32.05 2 5 1 54 361.421 5 ↓
Hi High (pH 8-9.5) 5.32 8.51 -11.86 1 5 0 53 360.413 5 ↓

Parameters Provided:

ring.id = 14350
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 = 14350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=14350&filter.purchasability=annotated

Embed Link to Results