UCSF

ZINC36436915

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (R)-1-(4-Fluoro-3-methoxyphenyl)ethanamine (R)-1-(4-Fluoro-3-methoxyphenyl)…

Find On: PubMed — Wikipedia — Google

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

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) -0.05 2.62 -51.67 3 2 1 37 170.207 2 ↓
Hi High (pH 8-9.5) -0.05 2.32 -4.98 2 2 0 35 169.199 2 ↓
Hi High (pH 8-9.5) 2.36 10.32 -42.69 2 9 1 89 405.486 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.