UCSF

ZINC03632351

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 20 No

Popular Name: LS-103790; Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropyl-, hydrochloride; WV 0080; beta-(N-(2-Chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole hydrochloride; p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)prop LS-103790; Phenetole, beta-(N-(2…

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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) 4.75 11 -35.63 1 2 1 14 298.878 8 ↓
Mid Mid (pH 6-8) 4.75 8.83 -3.03 0 2 0 12 297.87 8 ↓

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