UCSF

ZINC34934859

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Popular Name: (4E,5S)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolid (4E,5S)-5-(3,4-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) 1.93 5.47 -62.4 0 9 -1 101 481.525 9 ↓
Mid Mid (pH 6-8) 1.93 7.74 -78.93 1 9 0 102 482.533 9 ↓
Lo Low (pH 4.5-6) 1.93 6.97 -61.86 2 9 1 99 483.541 9 ↓

Activity (Go SEA)

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