UCSF

ZINC26992204

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 28 Yes

Popular Name: 3-Quinolinecarboxylicacid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo- 3-Quinolinecarboxylicacid,7-[(7S…

Find On: PubMed — Wikipedia — Google

CAS Number: 127254-11-9

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) -0.19 10.05 -104.94 3 6 0 93 409.82 3 ↓
Mid Mid (pH 6-8) -0.19 8.04 -61.77 4 6 1 90 410.828 3 ↓

Activity (Go SEA)

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