UCSF

ZINC03640628

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Popular Name: 3-(m-Acetoxyphenyl)-1,3-dimethylpyrrolidine hydrochloride; Acetic acid, 3-(3-(1,3-dimethyl)pyrrolidinyl)phenyl ester hydrochloride; LS-104556; Phenol, m-(1,3-dimethyl-3-pyrrolidinyl)-, acetate, hydrochloride; m-(1,3-Dimethyl-3-pyrrolidinyl)phenol acetate 3-(m-Acetoxyphenyl)-1,3-dimethyl…

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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) 2.22 8.96 -42.34 1 3 1 31 234.319 3 ↓
Hi High (pH 8-9.5) 2.22 6.34 -6.97 0 3 0 30 233.311 3 ↓

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