UCSF

ZINC54360857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 29 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) 3.31 13.67 -61.23 0 5 -1 65 423.539 4
Lo Low (pH 4.5-6) 3.31 14.73 -86.07 1 5 0 67 424.547 4

Activity (Go SEA)

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