UCSF

ZINC05821985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 20 Yes

Popular Name: 3-(m-Acetoxyphenyl)-3-butyl-1-methylpyrrolidine; BRN 1385617; LS-104178; Phenol, m-(3-butyl-1-methyl-3-pyrrolidinyl)-, acetate; m-(3-Butyl-1-methyl-3-pyrrolidinyl)phenol acetate 3-(m-Acetoxyphenyl)-3-butyl-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) 3.61 10.98 -42.62 1 3 1 31 276.4 6 ↓
Hi High (pH 8-9.5) 3.61 8.29 -6.93 0 3 0 30 275.392 6 ↓

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

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