UCSF

ZINC38868149

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 16 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) 3.32 6.79 -12.46 1 3 0 42 229.67 1
Hi High (pH 8-9.5) 3.32 6.37 -41.1 0 3 -1 40 228.662 1

Activity (Go SEA)

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