UCSF

ZINC43432899

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) -0.77 7.14 -138.19 1 6 -2 109 267.281 5
Lo Low (pH 4.5-6) -0.77 5.55 -61.78 2 6 -1 107 268.289 5

Activity (Go SEA)

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