UCSF

ZINC43700225

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) -1.33 3.12 -32.18 3 4 0 71 228.317 6
Hi High (pH 8-9.5) -1.33 2.4 -41.99 2 4 -1 69 227.309 6
Mid Mid (pH 6-8) -1.33 4.92 -48.1 3 4 0 71 228.317 6
Mid Mid (pH 6-8) -1.33 5.26 -81.46 4 4 1 72 229.325 6

Activity (Go SEA)

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