UCSF

ZINC43700277

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) -2.44 3.93 -45.15 3 5 0 84 212.249 5
Hi High (pH 8-9.5) -2.44 1.59 -42.05 2 5 -1 83 211.241 5
Mid Mid (pH 6-8) -2.44 2.32 -34.82 3 5 0 84 212.249 5
Mid Mid (pH 6-8) -2.44 4.24 -82.99 4 5 1 85 213.257 5

Activity (Go SEA)

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