UCSF

ZINC01999164

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 19 Yes

Popular Name: Benzyl-[2-(1H-indol-3-yl)-ethyl]-amine Benzyl-[2-(1H-indol-3-yl)-ethyl]…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1048326-81-3 , 15741-79-4 , 5586-88-9 , [15741-79-4]

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) 3.45 9.09 -44.49 3 2 1 32 251.353 5 ↓
Mid Mid (pH 6-8) 3.45 7.73 -5.48 2 2 0 28 250.345 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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