UCSF

ZINC24813850

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 29 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) 5.19 8.63 -50.6 1 5 -1 77 431.896 5
Mid Mid (pH 6-8) 5.19 8.64 -16.47 2 5 0 75 432.904 5

Activity (Go SEA)

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