UCSF

ZINC43700250

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) -2.71 0.31 -27.78 3 6 0 89 234.296 9
Hi High (pH 8-9.5) -2.71 -0.16 -45.86 2 6 -1 88 233.288 9
Mid Mid (pH 6-8) -2.71 2.22 -65.56 4 6 1 91 235.304 9

Activity (Go SEA)

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