UCSF

ZINC43432925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) -0.28 7.59 -123.08 1 6 -2 109 269.297 5
Lo Low (pH 4.5-6) -0.28 5.56 -57.72 2 6 -1 107 270.305 5

Activity (Go SEA)

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