UCSF

ZINC43399959

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) -0.05 5.58 -8.95 3 6 0 88 285.351 5
Mid Mid (pH 6-8) -0.05 6 -32.66 4 6 1 89 286.359 5
Lo Low (pH 4.5-6) -0.05 6.46 -85.08 5 6 2 90 287.367 5

Activity (Go SEA)

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