UCSF

ZINC34940914

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (4E,5S)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(2-morpholinoethyl)pyrrolidine- (4E,5S)-4-[(3-ethoxyphenyl)-hydr…

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Download: MOL2 SDF SMILES Flexibase

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) 2.18 4.33 -61.07 1 8 -1 102 451.499 8 ↓
Mid Mid (pH 6-8) 2.18 6.6 -76.61 2 8 0 104 452.507 8 ↓
Lo Low (pH 4.5-6) 2.18 5.84 -58.61 3 8 1 101 453.515 8 ↓

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