UCSF

ZINC66066559

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-(2-pyridyl)prop-2-enoyl]phenyl]methyl]piperazin-1-yl]phen (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) 3.87 11.74 -16.5 1 8 0 96 560.654 10 ↓
Mid Mid (pH 6-8) 3.87 14.97 -40.15 1 8 0 100 560.654 10 ↓
Mid Mid (pH 6-8) 3.87 12.7 -53.84 0 8 -1 99 559.646 10 ↓
Mid Mid (pH 6-8) 3.87 14.03 -55.25 2 8 1 97 561.662 10 ↓

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Rings

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

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