UCSF

ZINC43460920

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 0.52 2.79 -36.77 3 4 0 68 269.146 3
Mid Mid (pH 6-8) 0.52 3.23 -48.98 4 4 1 69 270.154 3

Activity (Go SEA)

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