UCSF

ZINC43569763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 36 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) 7.49 16.76 -45.2 0 4 -1 66 497.74 3
Lo Low (pH 4.5-6) 7.49 14.74 -5.88 1 4 0 64 498.748 3

Activity (Go SEA)

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