UCSF

ZINC08462000

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2006 12 Yes

Popular Name: 2-amino-2-phenylpropanoic acid 2-amino-2-phenylpropanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13398-26-0 , 268749-51-5 , 29738-09-8 , 565-07-1 , 6945-32-0 , 72408-60-7 , 84570-49-0 , [565-07-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.00 2.75 -38.36 3 3 0 68 165.192 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
MP 263 - 265 Enamine Building Blocks
MP 263...265 Enamine Building Blocks
MP 279 - 281 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-1-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 170 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 165.958691 0.79 Binding ≤ 1μM
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 165.958691 0.79 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )