UCSF

ZINC34931577

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) 6.14 13.75 -54.39 0 5 -1 73 471.533 5
Lo Low (pH 4.5-6) 6.14 13.01 -12.51 1 5 0 71 472.541 5

Activity (Go SEA)

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