UCSF

ZINC43977191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 4.42 8.78 -100.53 3 3 2 30 288.52 12
Mid Mid (pH 6-8) 4.42 9.31 -26.1 2 3 1 26 287.512 12

Activity (Go SEA)

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