UCSF

ZINC35191015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 35 No

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) 7.38 18.35 -26.29 2 5 1 57 468.621 9
Mid Mid (pH 6-8) 7.38 18.25 -17.92 1 5 0 56 467.613 9
Mid Mid (pH 6-8) 7.38 18.07 -37.51 2 5 1 60 468.621 9
Lo Low (pH 4.5-6) 7.38 18.27 -84.01 3 5 2 61 469.629 9

Activity (Go SEA)

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