UCSF

ZINC17146959

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 35 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-5-(3,4,5-trimethox (4E,5S)-1-(2-dimethylaminoethyl)…

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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) 2.47 9.06 -81.39 1 9 0 102 484.549 10 ↓
Hi High (pH 8-9.5) 2.47 6.53 -60.4 0 9 -1 101 483.541 10 ↓
Lo Low (pH 4.5-6) 2.47 8.24 -63.93 2 9 1 99 485.557 10 ↓

Activity (Go SEA)

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