UCSF

ZINC43700272

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) -0.93 3.84 -35.01 3 4 0 71 242.706 5
Hi High (pH 8-9.5) -0.93 3.45 -42.83 2 4 -1 69 241.698 5
Hi High (pH 8-9.5) -0.93 5.55 -48.46 3 4 0 71 242.706 5
Lo Low (pH 4.5-6) -0.93 5.88 -89.21 4 4 1 72 243.714 5

Activity (Go SEA)

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