UCSF

ZINC00139370

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: Alpha-Ethyltryptamine Alpha-Ethyltryptamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 118-68-3 , 2235-90-7 , [118-68-3]

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) 2.01 4.88 -38.06 4 2 1 43 189.282 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.81e-01 g/l DrugBank-experimental
biological_use Antidepressant IBScreen Bioactives IBScreen Bioactives
biological_use CNS stimulant IBScreen Bioactives
mechanism MAO inhibitor IBScreen Bioactives IBScreen Bioactives
biological_use Psychostimulant IBScreen Bioactives

Activity (Go SEA)

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