UCSF

ZINC34941119

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 No

Popular Name: (4E,5R)-5-(4-hydroxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylene]-1-(2-morpholinoethyl)pyrrolidine- (4E,5R)-5-(4-hydroxyphenyl)-4-[h…

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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) 2.69 4.69 -63.05 1 8 -1 102 465.526 9 ↓
Mid Mid (pH 6-8) 2.69 6.96 -74.09 2 8 0 104 466.534 9 ↓
Lo Low (pH 4.5-6) 2.69 6.2 -55.08 3 8 1 101 467.542 9 ↓

Activity (Go SEA)

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