UCSF

ZINC43700163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -1.90 2.56 -36.72 3 5 0 80 218.297 8
Hi High (pH 8-9.5) -1.90 1.78 -45.32 2 5 -1 79 217.289 8
Mid Mid (pH 6-8) -1.90 2.19 -30.03 3 5 0 80 218.297 8
Mid Mid (pH 6-8) -1.90 3.72 -73.45 4 5 1 81 219.305 8

Activity (Go SEA)

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