UCSF

ZINC22443098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 34 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) 8.46 13.3 -203.52 7 4 3 64 481.878 10
Hi High (pH 8-9.5) 8.46 12.86 -112.46 6 4 2 60 480.87 10

Activity (Go SEA)

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