UCSF

ZINC35809210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 32 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) 2.44 8.92 -57.59 3 8 1 96 481.042 11
Hi High (pH 8-9.5) 2.25 7.9 -81.8 2 8 0 102 480.034 11

Activity (Go SEA)

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