UCSF

ZINC43427947

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.00 5.31 -50.52 0 6 -1 78 248.262 2
Mid Mid (pH 6-8) 1.00 5.39 -38.56 1 6 0 80 249.27 2

Activity (Go SEA)

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