UCSF

ZINC38889906

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 16 Yes

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) 3.84 6.32 -122.34 5 2 2 44 228.424 3
Mid Mid (pH 6-8) 3.84 5.94 -33.95 4 2 1 43 227.416 3

Activity (Go SEA)

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