UCSF

ZINC33813556

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 5.70 14.74 -76.43 1 6 0 78 517.695 9
Lo Low (pH 4.5-6) 5.70 13.91 -51.71 2 6 1 75 518.703 9

Activity (Go SEA)

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