UCSF

ZINC33815258

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline 7-(4,7-diazaspiro[2.5]octan-7-yl…

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) 0.10 9.76 -101.51 2 7 0 91 405.401 4 ↓
Hi High (pH 8-9.5) 0.10 8.54 -67.07 1 7 -1 87 404.393 4 ↓
Mid Mid (pH 6-8) 0.10 7.75 -54.89 3 7 1 88 406.409 4 ↓
Lo Low (pH 4.5-6) -2.65 8.37 -80.35 3 7 1 94 406.409 3 ↓

Activity (Go SEA)

Rings

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