UCSF

ZINC09373700

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine- 4-[(4-allyloxyphenyl)-hydroxy-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) 2.97 7.87 -62.01 0 9 -1 107 496.536 13 ↓
Mid Mid (pH 6-8) 2.38 1.24 -15.36 0 9 0 100 497.544 13 ↓
Mid Mid (pH 6-8) 3.41 7.97 -21.58 1 9 0 104 497.544 12 ↓

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