UCSF

ZINC43700214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -0.82 5.58 -42.75 3 4 0 71 287.157 5
Hi High (pH 8-9.5) -0.82 3.28 -41.63 2 4 -1 69 286.149 5
Mid Mid (pH 6-8) -0.82 4.02 -33.01 3 4 0 71 287.157 5
Lo Low (pH 4.5-6) -0.82 5.97 -85.65 4 4 1 72 288.165 5

Activity (Go SEA)

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