UCSF

ZINC69509181

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 No

Popular Name: (2S)-1-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiazolidin-3-yl]-2-methyl-butan-1-one (2S)-1-[(4R)-4-[4-(2,2-difluoroe…

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) 1.46 6.34 -16.85 0 5 0 44 349.447 5 ↓

Activity (Go SEA)

Rings

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

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