UCSF

ZINC43815828

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 45 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) 1.48 5.18 -32.9 8 11 0 184 610.715 12
Mid Mid (pH 6-8) 1.48 5.49 -60.42 9 11 1 185 611.723 12

Activity (Go SEA)

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