UCSF

ZINC43649271

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 45 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) 5.80 15.4 -73.63 3 9 0 119 599.739 10
Lo Low (pH 4.5-6) 5.80 15.48 -49.87 4 9 1 120 600.747 10

Activity (Go SEA)

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