UCSF

ZINC09329090

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 No

Popular Name: 1-(2-diethylaminoethyl)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)-methylene]-pyrrolidine- 1-(2-diethylaminoethyl)-5-(3,4-d…

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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) 3.74 11.73 -72.23 1 8 0 93 496.604 13 ↓
Hi High (pH 8-9.5) 3.74 9.52 -57.62 0 8 -1 91 495.596 13 ↓
Mid Mid (pH 6-8) 4.19 10.79 -43.91 2 8 1 90 497.612 12 ↓

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