UCSF

ZINC42206868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 0.27 0.37 -39.71 3 5 1 64 219.305 9
Hi High (pH 8-9.5) 0.27 -0.85 -9.27 2 5 0 60 218.297 9

Activity (Go SEA)

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