UCSF

ZINC26937068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 27 Yes

Popular Name: 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-4-oxo-qui 7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-o…

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) 0.41 8.21 -104.63 2 6 0 82 371.412 3 ↓
Mid Mid (pH 6-8) -2.33 7.25 -78.01 3 6 1 85 372.42 2 ↓

Activity (Go SEA)

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