UCSF

ZINC43401280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) -0.23 2.94 -34.25 4 6 1 86 281.38 9
Mid Mid (pH 6-8) -0.23 2.97 -7.62 3 6 0 84 280.372 9
Lo Low (pH 4.5-6) -0.23 3.36 -89.7 5 6 2 87 282.388 9

Activity (Go SEA)

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