UCSF

ZINC19361929

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 Yes

Popular Name: 1-(2-Chloro-phenyl)-N*1*,N*1*-diethyl-ethane-1,2-diamine 1-(2-Chloro-phenyl)-N*1*,N*1*-di…

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CAS Numbers: 851169-07-8 , [851169-07-8]

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) 2.11 4.42 -42.32 3 2 1 31 227.759 5 ↓
Hi High (pH 8-9.5) 2.11 5.76 -29.64 3 2 1 30 227.759 5 ↓
Mid Mid (pH 6-8) 2.11 5.89 -114.41 4 2 2 32 228.767 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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