UCSF

ZINC33815266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 29 Yes

Popular Name: 7-[(5R)-1,4-diazabicyclo[3.2.1]octan-4-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo- 7-[(5R)-1,4-diazabicyclo[3.2.1]o…

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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) 0.02 10.73 -99.65 1 7 0 79 405.401 4 ↓
Hi High (pH 8-9.5) 0.02 8.08 -67.68 0 7 -1 78 404.393 4 ↓
Mid Mid (pH 6-8) 0.02 8.73 -52.94 2 7 1 76 406.409 4 ↓
Lo Low (pH 4.5-6) -2.72 8.78 -81.92 2 7 1 82 406.409 3 ↓

Activity (Go SEA)

Rings

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