UCSF

ZINC03631195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Popular Name: 1-Pentanone, 2-(ethylamino)-1-(4-methylphenyl)-, hydrochloride; 1-p-Tolyl-2-ethylamino-pentanone-(1) hydrochloride; 2-(Ethylamino)-1-(4-methylphenyl)-1-pentanone hydrochloride; LS-101965; Valerophenone, 2-(ethylamino)-4'-methyl-, hydrochloride 1-Pentanone, 2-(ethylamino)-1-(4…

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Annotations

Vendors

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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) 3.50 7.8 -37.14 2 2 1 34 220.336 6 ↓
Mid Mid (pH 6-8) 3.50 6.82 -5.25 1 2 0 29 219.328 6 ↓

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