UCSF

ZINC39128089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 0.57 -0.79 -11.39 2 3 0 49 167.139 0
Mid Mid (pH 6-8) 0.57 -0.04 -51.02 1 3 -1 52 166.131 0

Activity (Go SEA)

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