UCSF

ZINC12500925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 25 Yes

Popular Name: Fenethylline Fenethylline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1892-80-4 , 3736-08-1

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) 1.98 10.32 -53.26 2 7 1 78 342.423 6 ↓
Mid Mid (pH 6-8) 1.98 10.8 -119.46 3 7 2 80 343.431 6 ↓

Activity (Go SEA)

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