UCSF

ZINC33669537

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 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) 5.46 12.39 -12.96 1 7 0 80 517.651 8
Lo Low (pH 4.5-6) 1.80 13.35 -39.83 2 7 1 80 518.659 9

Activity (Go SEA)

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