UCSF

ZINC35108224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 35 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) 8.02 17.54 -24.67 2 5 1 57 470.637 8
Mid Mid (pH 6-8) 8.02 18.14 -17.36 1 5 0 56 469.629 8
Mid Mid (pH 6-8) 8.02 18.1 -36.48 2 5 1 60 470.637 8
Lo Low (pH 4.5-6) 8.02 18.01 -81.02 3 5 2 61 471.645 8

Activity (Go SEA)

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