UCSF

ZINC43392375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.79 8.28 -57.54 2 1 1 17 270.249 3
Mid Mid (pH 6-8) 3.79 7.32 -6.44 1 1 0 12 269.241 3

Activity (Go SEA)

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