UCSF

ZINC34932375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 5.54 13.22 -54.79 0 5 -1 70 472.948 9
Lo Low (pH 4.5-6) 5.54 12.46 -11.54 1 5 0 67 473.956 9

Activity (Go SEA)

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