UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8854880
8854880
8854881
8854881
4166687
4166687
4166690
4166690
4166882
4166882

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Popular Name: amino-bromo-(4-ethoxyphenyl)-methyl-oxo-BLAHcarbonitrile amino-bromo-(4-ethoxyphenyl)-met…

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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) 3.55 3.15 -15.17 4 8 0 126 492.333 3 ↓
Hi High (pH 8-9.5) 3.62 1.12 -42.71 2 8 -1 128 491.325 3 ↓
Lo Low (pH 4.5-6) 3.55 3.36 -56.24 5 8 1 128 493.341 3 ↓

Analogs

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Popular Name: amino-(4-ethoxy-3-methoxy-phenyl)-oxo-BLAHcarbonitrile amino-(4-ethoxy-3-methoxy-phenyl…

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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) 1.98 2.13 -17.23 4 9 0 135 429.436 4 ↓
Ref Reference (pH 7) 1.87 1.47 -19.43 3 9 0 131 429.436 4 ↓
Hi High (pH 8-9.5) 2.05 -0.44 -53.74 2 9 -1 138 428.428 4 ↓

Analogs

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Popular Name: amino-(4-ethoxy-3-methoxy-phenyl)-oxo-BLAHcarbonitrile amino-(4-ethoxy-3-methoxy-phenyl…

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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) 1.98 2.16 -17.24 4 9 0 135 429.436 4 ↓
Hi High (pH 8-9.5) 2.05 -0.49 -53.71 2 9 -1 138 428.428 4 ↓

Analogs

664645
664645

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Popular Name: 6-amino-5-cyano-5'-fluoro-2'-oxo-3-phenyl-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) 6-amino-5-cyano-5'-fluoro-2'-oxo…

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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) 2.10 2.08 -14.1 4 7 0 117 373.347 1 ↓
Hi High (pH 8-9.5) 2.17 -0.56 -46.77 2 7 -1 119 372.339 1 ↓
Lo Low (pH 4.5-6) 2.10 2.22 -59.81 5 7 1 118 374.355 1 ↓

Parameters Provided:

ring.id = 246053
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 = 246053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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