UCSF

ZINC38660895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 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) -4.57 -5.89 -375.03 3 17 -4 276 480.108 8
Mid Mid (pH 6-8) -4.57 -7.05 -239.46 4 17 -3 273 481.116 8

Activity (Go SEA)

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