UCSF

ZINC04098262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 Yes

Popular Name: beta-Eudesmol beta-Eudesmol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 473-15-4 , [473-15-4]

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) 4.01 0.54 -1.37 1 1 0 20 222.372 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links TPSBE_ZINZE ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102380-1-O Ileum (cluster #1 Of 3), Other Other 1490 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102380 Z102380 Ileum 1490 0.51 Functional ≤ 10μM

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