UCSF

ZINC19415816

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 13 Yes

Popular Name: oxolan-2-yl(phenyl)methanamine oxolan-2-yl(phenyl)methanamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1181458-40-1 , 870849-11-9

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) -0.20 3.84 -44.7 3 2 1 37 178.255 2 ↓
Hi High (pH 8-9.5) -0.20 3.45 -4.19 2 2 0 35 177.247 2 ↓

Vendor Notes

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

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