UCSF

ZINC48216546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 18 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) 0.56 1.76 -40.82 3 6 1 72 260.358 10
Hi High (pH 8-9.5) 0.56 -0.17 -14.9 2 6 0 71 259.35 10

Activity (Go SEA)

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