UCSF

ZINC20512082

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 14 Yes

Popular Name: [(2-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine [(2-chlorophenyl)methyl][2-(dime…

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CAS Number: 57095-07-5

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) 2.16 4.52 -35.58 2 2 1 20 213.732 5 ↓
Hi High (pH 8-9.5) 2.16 3.12 -2.91 1 2 0 15 212.724 5 ↓
Mid Mid (pH 6-8) 2.16 5.65 -34.54 2 2 1 16 213.732 5 ↓

Vendor Notes

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

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