UCSF

ZINC28965206

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 26 No

Popular Name: ethyl eburnamenine-14-carboxylate ethyl eburnamenine-14-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Number: 42971-09-5

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) 4.12 10.82 -7.68 0 4 0 34 350.462 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 3000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 3000 0.30 Functional ≤ 10μM

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