UCSF

ZINC66066557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 46 No

Popular Name: (E)-1-[4-[4-[[2-hydroxy-3-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methyl]piperazin-1-y (E)-1-[4-[4-[[2-hydroxy-3-methox…

Find On: PubMed — Wikipedia — Google

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) 6.69 13.49 -18.36 1 8 0 89 618.73 12 ↓
Mid Mid (pH 6-8) 6.69 16.65 -40.03 1 8 0 93 618.73 12 ↓
Mid Mid (pH 6-8) 6.69 14.33 -53.78 0 8 -1 91 617.722 12 ↓
Mid Mid (pH 6-8) 6.69 15.72 -54.58 2 8 1 90 619.738 12 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.