UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-[4-amino-3-cyano-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien-2-yl]phenyl]acetam N-[4-[4-amino-3-cyano-9-(2-thien…

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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) 1.90 2.93 -15.22 4 7 0 117 377.429 3 ↓
Lo Low (pH 4.5-6) 1.90 3.15 -63.86 5 7 1 118 378.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[4-amino-3-cyano-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-trien-2-yl]phenyl]acetam N-[4-[4-amino-3-cyano-9-(2-thien…

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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) 1.90 3.24 -15.28 4 7 0 117 377.429 3 ↓
Lo Low (pH 4.5-6) 1.90 3.47 -63.57 5 7 1 118 378.437 3 ↓

Analogs

4171074
4171074
8565975
8565975
8565981
8565981

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Popular Name: 4-amino-2-(4-hydroxy-3,5-dimethoxy-phenyl)-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-tr 4-amino-2-(4-hydroxy-3,5-dimetho…

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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) 2.03 0.96 -13.34 4 8 0 126 396.428 4 ↓

Analogs

8565975
8565975
8565981
8565981
4171073
4171073

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Popular Name: 4-amino-2-(4-hydroxy-3,5-dimethoxy-phenyl)-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-tr 4-amino-2-(4-hydroxy-3,5-dimetho…

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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) 2.03 1.36 -13.96 4 8 0 126 396.428 4 ↓

Analogs

4171177
4171177

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Popular Name: 2-[4-amino-3-cyano-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl]benzoic 2-[4-amino-3-cyano-9-(2-thienyl)…

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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) 2.20 4.22 -57.57 3 7 -1 128 363.378 3 ↓
Lo Low (pH 4.5-6) 2.20 4.04 -65.9 4 7 0 129 364.386 3 ↓

Analogs

4171175
4171175

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Popular Name: 2-[4-amino-3-cyano-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl]benzoic 2-[4-amino-3-cyano-9-(2-thienyl)…

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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) 2.20 4.48 -57.61 3 7 -1 128 363.378 3 ↓
Lo Low (pH 4.5-6) 2.20 4.25 -66.1 4 7 0 129 364.386 3 ↓

Parameters Provided:

ring.id = 1885
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 = 1885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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