UCSF

ZINC42466199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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) -1.07 1.92 -10.77 1 6 0 82 225.248 4
Hi High (pH 8-9.5) -0.89 1.86 -47.54 0 6 -1 89 224.24 4

Activity (Go SEA)

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