UCSF

ZINC34940961

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

Popular Name: (4E,5S)-5-(3,4-dimethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxy-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) 2.31 6.39 -62.4 0 9 -1 101 495.552 10 ↓
Mid Mid (pH 6-8) 2.31 8.66 -78.88 1 9 0 102 496.56 10 ↓
Lo Low (pH 4.5-6) 2.31 7.9 -61.81 2 9 1 99 497.568 10 ↓

Activity (Go SEA)

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