UCSF

ZINC02169606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 10 Yes

Popular Name: 3-Aminocyclohexanecarboxylic acid 3-Aminocyclohexanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16636-51-4 , 25912-50-9 , 81131-39-7 , 933445-54-6

Download: MOL2 SDF SMILES Flexibase

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) -0.03 1.91 -67.66 3 3 0 68 143.186 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 278 TCI
Purity 93% Fluorochem
Purity 93+% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 8130 0.71 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 8130 0.71 Functional ≤ 10μM

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