UCSF

ZINC39557515

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 7.18 15.56 -14.42 1 5 0 59 454.533 5
Mid Mid (pH 6-8) 7.18 15.94 -28.25 2 5 1 61 455.541 5

Activity (Go SEA)

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