UCSF

ZINC43705947

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 29 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) 8.31 16.56 -138.11 1 5 -2 92 403.563 18
Lo Low (pH 4.5-6) 8.31 14.56 -61.84 2 5 -1 89 404.571 18
Lo Low (pH 4.5-6) 8.31 14.51 -56.19 2 5 -1 89 404.571 18

Activity (Go SEA)

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