UCSF

ZINC17162320

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 No

Popular Name: (4E,5R)-5-(2,5-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methy (4E,5R)-5-(2,5-dimethoxyphenyl)-…

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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) 2.88 8.74 -75.64 1 8 0 93 454.523 9 ↓
Hi High (pH 8-9.5) 2.88 6.21 -62.78 0 8 -1 91 453.515 9 ↓

Activity (Go SEA)

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