UCSF

ZINC04767744

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 36 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) 5.15 13.1 -27.41 1 8 0 100 497.588 8
Mid Mid (pH 6-8) 5.27 1.88 -9.92 0 8 0 100 497.588 8
Mid Mid (pH 6-8) 5.27 3.39 -28.67 0 8 0 100 497.588 8
Mid Mid (pH 6-8) 5.11 1.99 -11.46 0 8 0 100 497.588 8

Activity (Go SEA)

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