UCSF

ZINC43395245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -1.70 3.51 -61.48 2 6 -1 99 222.224 4
Mid Mid (pH 6-8) -1.70 3.96 -45.75 3 6 0 101 223.232 4

Activity (Go SEA)

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