UCSF

ZINC33909199

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 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) 6.22 13.82 -122.37 0 9 -2 143 495.9 6
Ref Reference (pH 7) 6.71 13.78 -65.65 1 9 -1 144 496.908 5

Activity (Go SEA)

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