UCSF

ZINC02380283

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 20 Yes

Popular Name: [2-(1H-Indol-3-yl)-ethyl]-(3-methyl-benzyl)-amine [2-(1H-Indol-3-yl)-ethyl]-(3-met…

Find On: PubMed — Wikipedia — Google

CAS Number: 436099-76-2

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) 3.88 9.76 -44.63 3 2 1 32 265.38 5 ↓
Mid Mid (pH 6-8) 3.88 8.4 -5.6 2 2 0 28 264.372 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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