UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1H-imidazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione 5-(1H-imidazol-5-ylmethylamino)-…

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) 0.52 -0.26 -66.63 4 7 0 111 257.253 3 ↓
Mid Mid (pH 6-8) 0.52 -0.74 -50.95 3 7 -1 110 256.245 3 ↓
Lo Low (pH 4.5-6) 0.52 -0.99 -40.11 5 7 1 108 258.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methyl-1H-imidazol-5-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione 5-[(4-methyl-1H-imidazol-5-yl)me…

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) 0.74 0.23 -65.84 4 7 0 111 271.28 3 ↓
Mid Mid (pH 6-8) 0.74 -0.24 -50.44 3 7 -1 110 270.272 3 ↓
Lo Low (pH 4.5-6) 0.74 -0.5 -39.14 5 7 1 108 272.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methyl-1H-imidazol-4-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione 5-[(2-methyl-1H-imidazol-4-yl)me…

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) 0.61 -0.44 -62.12 4 7 0 111 271.28 3 ↓
Mid Mid (pH 6-8) 0.61 -0.88 -50.98 3 7 -1 110 270.272 3 ↓
Lo Low (pH 4.5-6) 0.61 -1.17 -36.01 5 7 1 108 272.288 3 ↓

Parameters Provided:

ring.id = 152508
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 = 152508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=152508&filter.purchasability=annotated

Embed Link to Results