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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (1R,2R,3S,4R,5S)-2-amino-5-phenethyl-norbornane-2,3-dicarboxylic (1R,2R,3S,4R,5S)-2-amino-5-phene…

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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) 0.36 8.23 -50.15 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 7.22 -34.57 4 5 0 105 303.358 5 ↓

Analogs

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Popular Name: (1S,2S,3R,4S,6R)-2-amino-6-phenethyl-norbornane-2,3-dicarboxylic (1S,2S,3R,4S,6R)-2-amino-6-phene…

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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) 0.36 7.79 -54.32 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 5.8 -30.58 4 5 0 105 303.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S,4S,6R)-2-amino-6-phenethyl-norbornane-2,3-dicarboxylic (1S,2S,3S,4S,6R)-2-amino-6-phene…

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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) 0.36 7.63 -87.75 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 5.56 -43.55 4 5 0 105 303.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,3S,4R,5S)-2-amino-5-phenethyl-norbornane-2,3-dicarboxylic (1R,2S,3S,4R,5S)-2-amino-5-phene…

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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) 0.36 7.6 -87.3 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 6.6 -39 4 5 0 105 303.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,3R,4R,5S)-2-amino-5-phenethyl-norbornane-2,3-dicarboxylic (1R,2S,3R,4R,5S)-2-amino-5-phene…

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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) 0.36 8.37 -55.49 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 6.53 -32.54 4 5 0 105 303.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S,4S,6R)-2-amino-6-phenethyl-norbornane-2,3-dicarboxylic (1S,2R,3S,4S,6R)-2-amino-6-phene…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EAA2-2-E Excitatory Amino Acid Transporter 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1400 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EAA2_HUMAN P43004 Excitatory Amino Acid Transporter 2, Human 1400 0.37 Binding ≤ 10μM

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) 0.36 8.92 -54.8 3 5 -1 108 302.35 5 ↓
Mid Mid (pH 6-8) 0.36 7.09 -30.06 4 5 0 105 303.358 5 ↓

Parameters Provided:

ring.id = 366502
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 = 366502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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