UCSF

ZINC35698513

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 No

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) 3.94 10.5 -13.25 1 3 0 38 336.869 1
Mid Mid (pH 6-8) 4.39 9.32 -44.45 0 3 -1 41 335.861 1

Activity (Go SEA)

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