UCSF

ZINC58943565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 34 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) 4.45 11.07 -10.37 1 6 0 71 481.524 6
Lo Low (pH 4.5-6) 0.98 11.86 -39.63 2 6 1 70 482.532 7

Activity (Go SEA)

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