UCSF

ZINC09177339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 30 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) 4.34 10.73 -61.33 0 5 -1 70 424.904 6
Mid Mid (pH 6-8) 4.79 10.71 -21.08 1 5 0 67 425.912 5

Activity (Go SEA)

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