UCSF

ZINC38270374

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 37 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) 1.68 11.05 -61.66 1 9 -1 126 495.563 5
Mid Mid (pH 6-8) 1.68 11.49 -35.24 2 9 0 127 496.571 5

Activity (Go SEA)

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