UCSF

ZINC05197771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 31 No

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) 5.63 8.12 -18.48 2 6 0 85 416.477 6
Mid Mid (pH 6-8) 5.81 9.54 -33.05 3 6 1 89 417.485 4

Activity (Go SEA)

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