UCSF

ZINC33808339

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

Popular Name: (4Z,5R)-5-(4-allyloxy-3-ethoxy-phenyl)-1-(2-diethylaminoethyl)-4-[hydroxy(4-pyridyl)methylene]pyrrol (4Z,5R)-5-(4-allyloxy-3-ethoxy-p…

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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) 2.54 11.33 -66.8 1 8 0 96 479.577 13 ↓
Hi High (pH 8-9.5) 2.54 9.02 -54.07 0 8 -1 95 478.569 13 ↓
Lo Low (pH 4.5-6) 2.54 10.03 -57.54 2 8 1 93 480.585 13 ↓

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