UCSF

ZINC04955668

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 27 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) 3.39 7.94 -16.73 1 6 0 75 404.492 6
Lo Low (pH 4.5-6) 3.39 8.24 -38.92 2 6 1 76 405.5 6
Lo Low (pH 4.5-6) 4.31 8.15 -17.78 1 6 0 78 404.492 5

Activity (Go SEA)

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