UCSF

ZINC39128093

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 1.48 -0.27 -7.27 3 2 0 46 163.098 0
Mid Mid (pH 6-8) 1.48 0.49 -38.38 2 2 -1 49 162.09 0

Activity (Go SEA)

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