UCSF

ZINC03634873

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Substance Information

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

Popular Name: Benzenemethanol, alpha-(1-amino-1-methylethyl)-4-(trifluoromethyl)-, hydrochloride; Benzyl alcohol, alpha-(1-amino-1-methylethyl)-p-(trifluoromethyl)-, hydrochloride; D 381a; LS-30622; alpha-(1-Amino-1-methylethyl)-4-(trifluoromethyl)benzenemethanol hydro Benzenemethanol, alpha-(1-amino-…

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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) 2.24 2.71 -45.51 4 2 1 48 234.241 3 ↓
Hi High (pH 8-9.5) 2.24 2.29 -3.19 3 2 0 46 233.233 3 ↓

Activity (Go SEA)

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