UCSF

ZINC19296245

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 33 Yes

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) 5.05 12.82 -32.07 1 6 0 72 497.926 8
Hi High (pH 8-9.5) 4.57 11.9 -67.31 0 6 -1 78 496.918 8

Activity (Go SEA)

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