UCSF

ZINC33824588

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 18 Yes

Popular Name: 4-(((2-(4-Hydroxyphenyl)ethyl)amino)methyl)phenol hydrochloride; 4-Hydroxybenzyl-4'-hydroxy-beta-phenethylamine hydrochloride; LS-104715; Phenol, 4-(((2-(4-hydroxyphenyl)ethyl)amino)methyl)-, hydrochloride; p-Cresol, alpha-(p-hydroxyphenethylamino)-, hydr 4-(((2-(4-Hydroxyphenyl)ethyl)am…

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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) 2.34 3.27 -51.88 4 3 1 57 244.314 5 ↓
Mid Mid (pH 6-8) 2.34 1.85 -10.46 3 3 0 52 243.306 5 ↓

Activity (Go SEA)

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