UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36611154
36611154
2791081
2791081

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-6-(difluoromethyl)-3-[(2,3-dimethoxybenzoyl)amino]thieno[5,4-b]pyridine-2-carboxamide 4-cyclopropyl-6-(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) 3.52 7.45 -22.3 3 7 0 104 447.463 7 ↓

Analogs

2791500
2791500
6275823
6275823
6275824
6275824
13959842
13959842
13959932
13959932

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-4-(difluoromethyl)-9-(4-nitrobenzoyl)amino-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tet 2-cyclopropyl-4-(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) 3.11 8.44 -15.79 3 8 0 131 432.408 6 ↓
Lo Low (pH 4.5-6) 3.11 8.68 -47.25 4 8 1 132 433.416 6 ↓

Analogs

2791500
2791500
2791898
2791898
2799652
2799652
6275823
6275823
6275825
6275825

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-4-(difluoromethyl)-9-(4-methylbenzoyl)amino-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-te 2-cyclopropyl-4-(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) 3.60 -1.14 -15.04 3 5 0 85 401.438 5 ↓

Parameters Provided:

ring.id = 73473
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 = 73473 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73473&filter.purchasability=annotated

Embed Link to Results