UCSF

ZINC49114120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 38 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) 6.44 17.14 -16.8 1 6 0 73 505.618 11
Mid Mid (pH 6-8) 6.44 17.63 -45.6 2 6 1 74 506.626 11

Activity (Go SEA)

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