UCSF

ZINC43395903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.02 3.02 -42.01 3 5 1 69 246.338 4
Lo Low (pH 4.5-6) -0.02 5.27 -117.27 4 5 2 70 247.346 4
Lo Low (pH 4.5-6) -0.02 3.93 -36.92 3 5 1 65 246.338 4

Activity (Go SEA)

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