UCSF

ZINC39309098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 5.58 17.32 -81 2 7 2 66 529.468 10
Mid Mid (pH 6-8) 5.58 16.29 -13.76 0 7 0 63 527.452 10
Mid Mid (pH 6-8) 5.58 16.8 -41.36 1 7 1 65 528.46 10
Mid Mid (pH 6-8) 5.58 16.81 -45.97 1 7 1 65 528.46 10

Activity (Go SEA)

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