UCSF

ZINC34560835

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 No

Popular Name: (4S)-4-(3,4-difluorophenyl)-2-oxo-N-[(3R)-1-[4-(2-pyridyl)cyclohexyl]pyrrolidin-3-yl]oxazolidine-3-c (4S)-4-(3,4-difluorophenyl)-2-ox…

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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) 3.60 11.67 -49.14 2 7 1 76 471.528 4 ↓
Lo Low (pH 4.5-6) 3.60 12.08 -97.3 3 7 2 77 472.536 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0998285A1; US6037354; WO1998057641A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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