UCSF

ZINC56979823

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2011 16 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) -2.61 6.45 -31.93 2 3 1 29 220.34 1
Lo Low (pH 4.5-6) -2.61 7.18 -98.37 3 3 2 30 221.348 1
Lo Low (pH 4.5-6) -2.61 6.32 -81.9 3 3 2 31 221.348 1

Activity (Go SEA)

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