UCSF

ZINC08075875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 13 Yes

Popular Name: D-Homophenylalanine D-Homophenylalanine

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CAS Numbers: 1012-05-1 , 105382-08-9 , 105382-09-0 , 131270-08-1; 82795-51-5; 943-73-7 , 7636-28-4 , 82795-51-5 , 943-73-7 , 997-55-7 , [1012-05-1] , [7636-28-4]

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) -0.71 3.91 -46.12 3 3 0 68 179.219 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 282 - 284 Enamine Building Blocks
MP 282...284 Enamine Building Blocks
MP 294 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
MP >300 °C(lit.) Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar

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 5400 0.57 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 5370.31796 0.57 Binding ≤ 10μM

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