UCSF

ZINC43968798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.66 7.62 -100.98 3 3 2 30 260.466 12
Mid Mid (pH 6-8) 3.66 6.77 -26.88 2 3 1 26 259.458 12

Activity (Go SEA)

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