UCSF

ZINC43587427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 5.87 16.71 -194.24 1 9 -3 153 483.626 22
Lo Low (pH 4.5-6) 5.87 14.74 -116.4 2 9 -2 150 484.634 22

Activity (Go SEA)

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