UCSF

ZINC23673165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 31 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) 2.46 8.86 -30.18 3 9 0 109 431.513 9
Mid Mid (pH 6-8) 2.46 8.58 -16.27 2 9 0 108 430.505 9

Activity (Go SEA)

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