UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11985135
11985135

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Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(4-methylthiazol-2- 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 2.05 -6.8 -19.54 2 7 0 101 392.506 7 ↓

Analogs

11985133
11985133

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Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(4-methylthiazol-2- 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 2.05 -6.8 -19.53 2 7 0 101 392.506 7 ↓

Analogs

11987255
11987255

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Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(5-methylthiazol-2- 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 2.05 -6.73 -21.7 2 7 0 101 392.506 7 ↓

Analogs

11987254
11987254

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(5-methylthiazol-2- 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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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) 2.05 -6.73 -21.66 2 7 0 101 392.506 7 ↓

Analogs

10626835
10626835

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Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(5-methylthiazol-2-yl)propanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 0.45 3.15 -21.93 2 7 0 101 350.425 4 ↓

Parameters Provided:

ring.id = 65127
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 = 65127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65127&filter.purchasability=annotated

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