UCSF

ZINC33375235

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 35 No

Popular Name: (4E,5R)-5-(4-allyloxyphenyl)-1-(2-diethylaminoethyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene (4E,5R)-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) 4.29 11.85 -50.26 1 7 0 83 478.589 12 ↓
Hi High (pH 8-9.5) 4.29 9.55 -40.19 0 7 -1 82 477.581 12 ↓
Lo Low (pH 4.5-6) 4.29 10.73 -51.85 2 7 1 81 479.597 12 ↓

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