UCSF

ZINC38139195

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 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) 4.51 13.6 -20 0 10 0 114 538.988 9
Mid Mid (pH 6-8) 0.60 14.44 -28.86 1 10 1 112 539.996 10

Activity (Go SEA)

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