UCSF

ZINC32497126

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 16 Yes

Popular Name: N-[2-amino-1-(3-methoxyphenyl)ethyl]-N,N-diethylamine N-[2-amino-1-(3-methoxyphenyl)et…

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CAS Number: 885530-72-3

Other Names:

MFCD08444207

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) 1.51 4.56 -122.07 4 3 2 41 224.348 6 ↓
Mid Mid (pH 6-8) 1.51 5.08 -29.17 3 3 1 40 223.34 6 ↓
Mid Mid (pH 6-8) 1.51 3.28 -45.89 3 3 1 40 223.34 6 ↓

Vendor Notes

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

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