UCSF

ZINC36436914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 12 Yes

Popular Name: (1S)-1-(4-FLUORO-3-METHOXYPHENYL)ETHYLAMINE (1S)-1-(4-FLUORO-3-METHOXYPHENYL…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1157581-09-3 , 1256944-96-3 , 333753-64-3 , 870849-59-5

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) -0.05 2.62 -51.69 3 2 1 37 170.207 2 ↓
Hi High (pH 8-9.5) -0.05 2.3 -5.66 2 2 0 35 169.199 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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