UCSF

ZINC12359312

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 Yes

Popular Name: 2-Amino-2-cyclohexylacetic acid 2-Amino-2-cyclohexylacetic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14328-51-9 , 14328-52-0 , 191611-20-8 , 212576-02-8 , 5664-29-9 , 61367-40-6 , [14328-51-9] , [191611-20-8]

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) -0.75 2.54 -45.23 3 3 0 68 157.213 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 116-117o C Indofine
MP 254-256° Oakwood Chemical
MP 266 - 268 Enamine Building Blocks
MP 266...268 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CA2D1-4-E Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #4 Of 4), Eukaryotic Eukaryotes 60 0.92 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 60 0.92 Binding ≤ 1μM
CA2D1_MOUSE O08532 Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Mouse 60 0.92 Binding ≤ 10μM

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