UCSF

ZINC05954879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 18 Yes

Popular Name: 3-(m-Acetoxyphenyl)-3-ethyl-1-methylpyrrolidine; BRN 1380067; LS-104645; Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate; m-(3-Ethyl-1-methyl-3-pyrrolidinyl)phenol acetate 3-(m-Acetoxyphenyl)-3-ethyl-1-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) 2.55 9.44 -38.47 1 3 1 31 248.346 4 ↓
Hi High (pH 8-9.5) 2.55 6.68 -8.04 0 3 0 30 247.338 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.