UCSF

ZINC49031949

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 33 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) 3.66 10.41 -101.5 5 6 2 73 449.595 2
Lo Low (pH 4.5-6) 3.66 9.27 -38.34 4 6 1 68 448.587 2
Lo Low (pH 4.5-6) 3.66 10.48 -122.31 5 6 2 73 449.595 2

Activity (Go SEA)

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