UCSF

ZINC43601782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 34 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) 5.62 11.8 -58.48 1 4 -1 77 469.686 1
Lo Low (pH 4.5-6) 5.62 9.86 -11.76 2 4 0 75 470.694 1

Activity (Go SEA)

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