UCSF

ZINC05408521

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 No

Popular Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-5-(3-ethoxy-4-hydroxy-phenyl)-1-methyl-pyrrolidine-2,3-d 4-[(3,4-dimethoxyphenyl)-hydroxy…

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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) 1.74 4.84 -62.54 1 8 -1 108 412.418 7 ↓
Mid Mid (pH 6-8) 2.19 -0.63 -22.48 2 8 0 105 413.426 6 ↓

Activity (Go SEA)

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