UCSF

ZINC71296614

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 41 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) 8.79 20.38 -187.79 2 9 -3 162 581.815 30
Lo Low (pH 4.5-6) 8.79 18.41 -112.91 3 9 -2 159 582.823 30

Activity (Go SEA)

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