UCSF

ZINC34921087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 39 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) 5.67 13.54 -59.57 0 7 -1 88 528.625 13
Lo Low (pH 4.5-6) 5.67 12.79 -14.8 1 7 0 85 529.633 13

Activity (Go SEA)

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