UCSF

ZINC24957794

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 23 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) 3.36 5.71 -17.39 1 6 0 82 400.25 7
Mid Mid (pH 6-8) 3.36 5.79 -50.83 0 6 -1 84 399.242 7

Activity (Go SEA)

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