UCSF

ZINC28228150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 24 Yes

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) 3.65 8.39 -11.72 0 5 0 46 326.396 8
Lo Low (pH 4.5-6) 3.65 8.78 -32.27 1 5 1 47 327.404 8

Activity (Go SEA)

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