UCSF

ZINC66066556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 42 No

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

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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) 6.57 14.84 -17.11 1 6 0 70 558.678 10 ↓
Mid Mid (pH 6-8) 6.57 18.03 -38.63 1 6 0 74 558.678 10 ↓
Mid Mid (pH 6-8) 6.57 15.7 -51.19 0 6 -1 73 557.67 10 ↓
Mid Mid (pH 6-8) 6.57 17.06 -54.31 2 6 1 71 559.686 10 ↓

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Rings

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

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