UCSF

ZINC66073808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 44 No

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

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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) 7.11 13.46 -17.8 1 7 0 79 588.704 11 ↓
Mid Mid (pH 6-8) 7.11 16.5 -38.32 1 7 0 83 588.704 11 ↓
Mid Mid (pH 6-8) 7.11 15.75 -55.47 2 7 1 81 589.712 11 ↓
Mid Mid (pH 6-8) 7.11 14.24 -49.96 0 7 -1 82 587.696 11 ↓

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Rings

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

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