UCSF

ZINC65549215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 Yes

Popular Name: 4-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methyl-amino]acetyl]piperazin-2-one 4-[2-[[(1S)-1-(2,5-difluoropheny…

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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) 1.38 5.44 -40.97 2 5 1 54 312.34 4 ↓
Mid Mid (pH 6-8) 1.38 3.83 -9.98 1 5 0 53 311.332 4 ↓

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Rings

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

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