UCSF

ZINC33771526

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 No

Popular Name: (4Z,5S)-5-(4-allyloxyphenyl)-1-(2-diethylaminoethyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3- (4Z,5S)-5-(4-allyloxyphenyl)-1-(…

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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) 2.57 10.47 -66.04 1 7 0 87 435.524 11 ↓
Hi High (pH 8-9.5) 2.57 8.15 -50.71 0 7 -1 86 434.516 11 ↓
Lo Low (pH 4.5-6) 2.57 9.17 -55.5 2 7 1 84 436.532 11 ↓

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