UCSF

ZINC05141542

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 13 Yes

Popular Name: 1,2-Propanediamine, N',N'-dimethyl-N-phenyl-; BRN 2804122; FC 474; LS-119864; N',N'-Dimethyl-N-phenyl-1,2-propanediamine; N'-Phenyl-N,N,alpha-trimethylethylenediamine 1,2-Propanediamine, N',N'-dimeth…

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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) 2.15 5.99 -34.7 2 2 1 16 179.287 4 ↓
Hi High (pH 8-9.5) 2.15 3.77 -1.94 1 2 0 15 178.279 4 ↓

Activity (Go SEA)

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