UCSF

ZINC43649052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 5.28 13.13 -72.68 3 9 0 119 551.695 10
Lo Low (pH 4.5-6) 5.28 13.24 -48.63 4 9 1 120 552.703 10

Activity (Go SEA)

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