UCSF

ZINC43460881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -1.55 -1.69 -47.45 5 5 1 89 258.099 2
Hi High (pH 8-9.5) -1.55 -2.02 -6.57 4 5 0 88 257.091 2
Hi High (pH 8-9.5) -1.55 -2.46 -34.27 3 5 -1 86 256.083 2
Mid Mid (pH 6-8) -1.55 -2.06 -32.79 4 5 0 88 257.091 2

Activity (Go SEA)

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