UCSF

ZINC31561316

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 17 Yes

Popular Name: 2-(3-Trifluoromethyl)phenyl-4-methyltetrahydro-1,4-oxazine hydrochloride; 4-Methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)morpholine hydrochloride; LS-93198; Morpholine, 4-methyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride 2-(3-Trifluoromethyl)phenyl-4-me…

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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) 2.64 4.71 -3.33 0 2 0 12 245.244 2 ↓
Mid Mid (pH 6-8) 2.64 7.12 -39.21 1 2 1 14 246.252 2 ↓

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