UCSF

ZINC13130984

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 32 No

Popular Name: (4Z,5R)-4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-(2-thienyl)pyrrolidine- (4Z,5R)-4-[(4-allyloxyphenyl)-hy…

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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) 2.93 11.94 -72.25 1 7 0 89 449.532 10 ↓
Mid Mid (pH 6-8) 2.93 11.43 -61.29 0 7 -1 87 448.524 10 ↓
Lo Low (pH 4.5-6) 2.93 11.19 -46.32 2 7 1 86 450.54 10 ↓

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