UCSF

ZINC05376521

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 26 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) 6.58 9.79 -8.22 1 4 0 54 405.306 5
Hi High (pH 8-9.5) 7.04 7.74 -47.36 0 4 -1 58 404.298 5

Activity (Go SEA)

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