UCSF

ZINC57551347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 19 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) 0.64 4.05 -38.83 1 5 1 37 270.397 4
Hi High (pH 8-9.5) 0.64 1.78 -8.32 0 5 0 36 269.389 4

Activity (Go SEA)

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